N-[(4-chlorophenyl)methyl]-1-phenylethanamine

C15H16ClN — CID 2757412

IUPACN-[(4-chlorophenyl)methyl]-1-phenylethanamine
SMILESCC(NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H16ClN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h2-10,12,17H,11H2,1H3
InChIKeyOQLCAYPQNQXBKW-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.19
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-phenylethanamine

N-[(4-chlorophenyl)methyl]-1-phenylethanamine (PubChem CID 2757412) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-phenylethanamine
PubChem CID2757412
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC NameN-[(4-chlorophenyl)methyl]-1-phenylethanamine
SMILESCC(NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H16ClN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h2-10,12,17H,11H2,1H3
InChIKeyOQLCAYPQNQXBKW-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-chlorophenyl)methyl]-1-phenylethanamine 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-chlorophenyl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-phenylethanamine (CID 2757412) is N-[(4-chlorophenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-phenylethanamine is CC(NCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-phenylethanamine?
The InChIKey is OQLCAYPQNQXBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h2-10,12,17H,11H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-phenylethanamine?
N-[(4-chlorophenyl)methyl]-1-phenylethanamine has a molecular weight of 245.75 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 2757412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).