Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID008395
Phytochemical name: N-methylaniline
Synonymous chemical names:n-methylaniline
External chemical identifiers:CID:CID_7515, ChEMBL:CHEMBL170781, ChEBI:CHEBI:15733, ZINC:ZINC000000901343, FDASRS:TH45GK410O, SureChEMBL:SCHEMBL4454, MolPort-001-781-912
Chemical structure information
SMILES:
CNc1ccccc1InChI:
InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3InChIKey:
AFBPFSWMIHJQDM-UHFFFAOYSA-NDeepSMILES:
CNcccccc6Functional groups:
cNCLink to spectral information:
MSBNK-Keio_Univ-KO003451, MSBNK-Keio_Univ-KO003449, MSBNK-Keio_Univ-KO003450, MSBNK-Keio_Univ-KO003447, MSBNK-CASMI_2016-SM812601, MSBNK-Keio_Univ-KO003448
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccccc1Scaffold Graph/Node level:
C1CCCCC1Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic nitrogen compoundsClassyFire Class: Organonitrogen compounds
ClassyFire Subclass: Amines
NP Classifier Biosynthetic pathway: Alkaloids, Amino acids and Peptides, Shikimates and Phenylpropanoids
NP Classifier Superclass: Small peptides
NP Classifier Class: Aminoacids
NP-Likeness score: -0.477
Chemical structure download
