Structural Complex
Chemical ID: B2Y
IUPAC Name: 1-biphenyl-2-ylmethanamine
Formal Charge: 0
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: C13 H13 N
Molecular weight: 183.249
Hydrogen Bond Acceptor:
Hydrogen Bond Donor:
Rotatable Bonds:
Heavy Atoms:
Systematic name
Program Version Descriptor
ACDLabs 10.04 1-biphenyl-2-ylmethanamine
OpenEye OEToolkits 1.5.0 (2-phenylphenyl)methanamine
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 10.04 c2(c1ccccc1CN)ccccc2
SMILES_CANONICAL CACTVS 3.341 NCc1ccccc1c2ccccc2
SMILES CACTVS 3.341 NCc1ccccc1c2ccccc2
SMILES_CANONICAL OpenEye OEToolkits 1.5.0 c1ccc(cc1)c2ccccc2CN
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)c2ccccc2CN
InChI InChI 1.03 InChI=1S/C13H13N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H,10,14H2
InChIKey InChI 1.03 YHXKXVFQHWJYOD-UHFFFAOYSA-N
Chemical Database Mapping
Database Reference ID
DrugBank DB07412
ChEMBL CHEMBL257036
PubChem 263366
SureChEMBL 29872374,469051
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