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- ChemComp-0XM: 1,1-diphenylmethanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: 0XM
NameName: 1,1-diphenylmethanamine

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Chemical information

Composition
Formula: C13H13N / Number of atoms: 27 / Formula weight: 183.249 / Formal charge: 0
Others

4gm3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0XM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4GM3
History
Create componentAug 29, 2012
Initial releaseJul 31, 2013
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / 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 12.01c1(ccccc1)C(N)c2ccccc2
CACTVS 3.370NC(c1ccccc1)c2ccccc2
OpenEye OEToolkits 1.7.6c1ccc(cc1)C(c2ccccc2)N

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SMILES CANONICAL

CACTVS 3.370NC(c1ccccc1)c2ccccc2
OpenEye OEToolkits 1.7.6c1ccc(cc1)C(c2ccccc2)N

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InChI

InChI 1.03InChI=1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2

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InChIKey

InChI 1.03MGHPNCMVUAKAIE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011,1-diphenylmethanamine
OpenEye OEToolkits 1.7.6diphenylmethanamine

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PDB entries

Showing all 2 items

PDB-7gqb:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z44548882

PDB-7hl5:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z44548882 (DNV2_NS5A-x1149)

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