N-[(4-methylphenyl)methyl]-1-phenylmethanamine

C15H17N — CID 2756631

IUPACN-[(4-methylphenyl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C15H17N/c1-13-7-9-15(10-8-13)12-16-11-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3
InChIKeyDEIYMPNQHPOHSK-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.28
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-1-phenylmethanamine

N-[(4-methylphenyl)methyl]-1-phenylmethanamine (PubChem CID 2756631) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-phenylmethanamine
PubChem CID2756631
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC NameN-[(4-methylphenyl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C15H17N/c1-13-7-9-15(10-8-13)12-16-11-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3
InChIKeyDEIYMPNQHPOHSK-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-methylphenyl)methyl]-1-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-phenylmethanamine (CID 2756631) is N-[(4-methylphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-phenylmethanamine is Cc1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-phenylmethanamine?
The InChIKey is DEIYMPNQHPOHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-13-7-9-15(10-8-13)12-16-11-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-1-phenylmethanamine?
N-[(4-methylphenyl)methyl]-1-phenylmethanamine has a molecular weight of 211.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 2756631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).