1,2-bis(4-chlorophenyl)ethanamine;hydrochloride

C14H14Cl3N — CID 3052528

IUPAC1,2-bis(4-chlorophenyl)ethanamine;hydrochloride
SMILESCl.NC(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2N.ClH/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11;/h1-8,14H,9,17H2;1H
InChIKeyQEDSEJAUDQMDFM-UHFFFAOYSA-N
MW302.63 g/mol
LogP4.66
Rot. Bonds3

About 1,2-bis(4-chlorophenyl)ethanamine;hydrochloride

1,2-bis(4-chlorophenyl)ethanamine;hydrochloride (PubChem CID 3052528) has the molecular formula C14H14Cl3N and a molecular weight of 302.63 g/mol. Its IUPAC name is 1,2-bis(4-chlorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1,2-bis(4-chlorophenyl)ethanamine;hydrochloride
PubChem CID3052528
Molecular FormulaC14H14Cl3N
Molecular Weight302.63 g/mol
Exact Mass301.02
IUPAC Name1,2-bis(4-chlorophenyl)ethanamine;hydrochloride
SMILESCl.NC(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2N.ClH/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11;/h1-8,14H,9,17H2;1H
InChIKeyQEDSEJAUDQMDFM-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.63
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2-bis(4-chlorophenyl)ethanamine;hydrochloride 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 1,2-bis(4-chlorophenyl)ethanamine;hydrochloride?
The IUPAC name of 1,2-bis(4-chlorophenyl)ethanamine;hydrochloride (CID 3052528) is 1,2-bis(4-chlorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for 1,2-bis(4-chlorophenyl)ethanamine;hydrochloride?
The canonical SMILES for 1,2-bis(4-chlorophenyl)ethanamine;hydrochloride is Cl.NC(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1,2-bis(4-chlorophenyl)ethanamine;hydrochloride?
The InChIKey is QEDSEJAUDQMDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N.ClH/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11;/h1-8,14H,9,17H2;1H.
What are the key properties of 1,2-bis(4-chlorophenyl)ethanamine;hydrochloride?
1,2-bis(4-chlorophenyl)ethanamine;hydrochloride has a molecular weight of 302.63 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-chlorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 3052528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).