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- ChemComp-U1H: [4-(trifluoromethyl)phenyl]methanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: U1H
NameName: [4-(trifluoromethyl)phenyl]methanamine
Synonyms: 4-(Trifluoromethyl)benzylamine; p-trifluoromethylbenzylamine; 4-Aminomethylbenzotrifluoride

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Chemical information

Composition
Formula: C8H8F3N / Number of atoms: 20 / Formula weight: 175.151 / Formal charge: 0
Others

7bkt
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: U1H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BKT
History
Create componentJan 18, 2021
Modify synonymsJan 18, 2021
Initial releaseAug 17, 2022
External linksUniChem / ChemSpider / Brenda / ChEMBL / ChemicalBook / CompTox / NMRShiftDB / 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

CACTVS 3.385NCc1ccc(cc1)C(F)(F)F
OpenEye OEToolkits 2.0.7c1cc(ccc1CN)C(F)(F)F

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SMILES CANONICAL

CACTVS 3.385NCc1ccc(cc1)C(F)(F)F
OpenEye OEToolkits 2.0.7c1cc(ccc1CN)C(F)(F)F

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InChI

InChI 1.03InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2

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InChIKey

InChI 1.03PRDBLLIPPDOICK-UHFFFAOYSA-N

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PDB entries

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