1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine

C14H13Cl2N — CID 82541998

IUPAC1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine
SMILESCC(N)c1ccc(Cl)c(-c2ccccc2Cl)c1
InChIInChI=1S/C14H13Cl2N/c1-9(17)10-6-7-14(16)12(8-10)11-4-2-3-5-13(11)15/h2-9H,17H2,1H3
InChIKeyYKDDANPGWBGZJG-UHFFFAOYSA-N
MW266.17 g/mol
LogP4.68
Rot. Bonds2

About 1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine

1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine (PubChem CID 82541998) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is 1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine
PubChem CID82541998
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine
SMILESCC(N)c1ccc(Cl)c(-c2ccccc2Cl)c1
InChIInChI=1S/C14H13Cl2N/c1-9(17)10-6-7-14(16)12(8-10)11-4-2-3-5-13(11)15/h2-9H,17H2,1H3
InChIKeyYKDDANPGWBGZJG-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine 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 1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine?
The IUPAC name of 1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine (CID 82541998) is 1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine is CC(N)c1ccc(Cl)c(-c2ccccc2Cl)c1.
What is the InChIKey of 1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine?
The InChIKey is YKDDANPGWBGZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-9(17)10-6-7-14(16)12(8-10)11-4-2-3-5-13(11)15/h2-9H,17H2,1H3.
What are the key properties of 1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine?
1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine has a molecular weight of 266.17 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine is sourced from PubChem (CID 82541998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).