1-(3-chloro-4-methylphenyl)-2-phenylethanamine

C15H16ClN — CID 55162176

IUPAC1-(3-chloro-4-methylphenyl)-2-phenylethanamine
SMILESCc1ccc(C(N)Cc2ccccc2)cc1Cl
InChIInChI=1S/C15H16ClN/c1-11-7-8-13(10-14(11)16)15(17)9-12-5-3-2-4-6-12/h2-8,10,15H,9,17H2,1H3
InChIKeyOIRRWEXAJIWDCY-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.89
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-2-phenylethanamine

1-(3-chloro-4-methylphenyl)-2-phenylethanamine (PubChem CID 55162176) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-phenylethanamine
PubChem CID55162176
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name1-(3-chloro-4-methylphenyl)-2-phenylethanamine
SMILESCc1ccc(C(N)Cc2ccccc2)cc1Cl
InChIInChI=1S/C15H16ClN/c1-11-7-8-13(10-14(11)16)15(17)9-12-5-3-2-4-6-12/h2-8,10,15H,9,17H2,1H3
InChIKeyOIRRWEXAJIWDCY-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-4-methylphenyl)-2-phenylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 106817793
1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 107560396
1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
CID 107988729
1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
CID 79701061
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707
N-[1-(3-chloro-4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 63527074
(1S)-1-(3-chloro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171223987
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817898
(1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine
CID 131569860
(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131561553
(1S)-1-(3-chloro-4-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171223999

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-phenylethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-phenylethanamine (CID 55162176) is 1-(3-chloro-4-methylphenyl)-2-phenylethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-phenylethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-phenylethanamine is Cc1ccc(C(N)Cc2ccccc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-phenylethanamine?
The InChIKey is OIRRWEXAJIWDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-11-7-8-13(10-14(11)16)15(17)9-12-5-3-2-4-6-12/h2-8,10,15H,9,17H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-phenylethanamine?
1-(3-chloro-4-methylphenyl)-2-phenylethanamine has a molecular weight of 245.75 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-phenylethanamine is sourced from PubChem (CID 55162176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).