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- ChemComp-O3G: N-benzyl-1-(4-fluorophenyl)methanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: O3G
NameName: N-benzyl-1-(4-fluorophenyl)methanamine

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Chemical information

Composition
Formula: C14H14FN / Number of atoms: 30 / Formula weight: 215.266 / Formal charge: 0
Others

5qsv

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: O3G / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QSV
History
Create componentJun 6, 2019
Initial releaseAug 21, 2019
External linksUniChem / ChemSpider / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01N(Cc1ccc(F)cc1)Cc2ccccc2
CACTVS 3.385Fc1ccc(CNCc2ccccc2)cc1
OpenEye OEToolkits 2.0.6c1ccc(cc1)CNCc2ccc(cc2)F

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SMILES CANONICAL

CACTVS 3.385Fc1ccc(CNCc2ccccc2)cc1
OpenEye OEToolkits 2.0.6c1ccc(cc1)CNCc2ccc(cc2)F

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InChI

InChI 1.03InChI=1S/C14H14FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2

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InChIKey

InChI 1.03SXZSRGKJZKOZRP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-benzyl-1-(4-fluorophenyl)methanamine
OpenEye OEToolkits 2.0.6~{N}-[(4-fluorophenyl)methyl]-1-phenyl-methanamine

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PDB entries

Showing all 5 items

PDB-5qsv:
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434783

PDB-5rag:
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001767a

PDB-5rwr:
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434783

PDB-5s56:
Tubulin-Z2856434783-complex

PDB-5sa6:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z2856434783

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