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- ChemComp-JFJ: 1-(3-chlorophenyl)-N-methylmethanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: JFJ
NameName: 1-(3-chlorophenyl)-N-methylmethanamine

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Chemical information

Composition
Formula: C8H10ClN / Number of atoms: 20 / Formula weight: 155.625 / Formal charge: 0
Others

5qdh

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JFJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QDH
History
Create componentSep 10, 2018
Initial releaseOct 10, 2018
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / 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 12.01CNCc1cccc(Cl)c1
CACTVS 3.385CNCc1cccc(Cl)c1
OpenEye OEToolkits 2.0.6CNCc1cccc(c1)Cl

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SMILES CANONICAL

CACTVS 3.385CNCc1cccc(Cl)c1
OpenEye OEToolkits 2.0.6CNCc1cccc(c1)Cl

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InChI

InChI 1.03InChI=1S/C8H10ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3

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InChIKey

InChI 1.03ZPNLAQVYPIAHTO-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-(3-chlorophenyl)-N-methylmethanamine
OpenEye OEToolkits 2.0.61-(3-chlorophenyl)-~{N}-methyl-methanamine

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PDB entries

Showing all 4 items

PDB-5qdh:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000004a

PDB-5snu:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434770

PDB-6t2x:
3C-like protease from Southampton virus complexed with FMOPL000004a.

PDB-7frj:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z2856434770

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