1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine

C15H15Cl2N — CID 107559750

IUPAC1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine
SMILESCc1ccc(C(C)(N)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H15Cl2N/c1-10-3-4-12(9-14(10)17)15(2,18)11-5-7-13(16)8-6-11/h3-9H,18H2,1-2H3
InChIKeyPAALZGRXQAJDMO-UHFFFAOYSA-N
MW280.20 g/mol
LogP4.52
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine

1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine (PubChem CID 107559750) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine
PubChem CID107559750
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine
SMILESCc1ccc(C(C)(N)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H15Cl2N/c1-10-3-4-12(9-14(10)17)15(2,18)11-5-7-13(16)8-6-11/h3-9H,18H2,1-2H3
InChIKeyPAALZGRXQAJDMO-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine 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

1-(4-chlorophenyl)-1-(2-methylphenyl)ethanamine
CID 60798734
2-chloro-4-[2-[2-(3-chloro-4-methylphenyl)propan-2-ylsulfonyl]propan-2-yl]-1-methylbenzene
CID 139625306
1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine
CID 63408144
1-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanamine
CID 62787808
2-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)propan-2-amine
CID 107559807
1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 62790432
2-(3-chloro-4-methylphenyl)-N,2-dimethylpropan-1-amine
CID 83703366
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 54967235
ethyl 2-(3-chloro-4-methylphenyl)-2-methylpropanoate
CID 105426730
1-amino-1-(4-chlorophenyl)ethanol
CID 23370677
1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107128285
1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82819938

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine (CID 107559750) is 1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine is Cc1ccc(C(C)(N)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine?
The InChIKey is PAALZGRXQAJDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-10-3-4-12(9-14(10)17)15(2,18)11-5-7-13(16)8-6-11/h3-9H,18H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine?
1-(3-chloro-4-methylphenyl)-1-(4-chlorophenyl)ethanamine has a molecular weight of 280.20 g/mol, XLogP of 4.52, 2 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)-1-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 107559750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).