1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine

C18H15Cl2N — CID 79592123

IUPAC1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H15Cl2N/c19-13-7-5-12(6-8-13)11-18(21)16-9-10-17(20)15-4-2-1-3-14(15)16/h1-10,18H,11,21H2
InChIKeyATHUYCCLHXMYOJ-UHFFFAOYSA-N
MW316.23 g/mol
LogP5.39
Rot. Bonds3

About 1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine

1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine (PubChem CID 79592123) has the molecular formula C18H15Cl2N and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine
PubChem CID79592123
Molecular FormulaC18H15Cl2N
Molecular Weight316.23 g/mol
Exact Mass315.06
IUPAC Name1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H15Cl2N/c19-13-7-5-12(6-8-13)11-18(21)16-9-10-17(20)15-4-2-1-3-14(15)16/h1-10,18H,11,21H2
InChIKeyATHUYCCLHXMYOJ-UHFFFAOYSA-N
XLogP5.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.23
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-chloronaphthalen-1-yl)-2-(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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine (CID 79592123) is 1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine is NC(Cc1ccc(Cl)cc1)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine?
The InChIKey is ATHUYCCLHXMYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N/c19-13-7-5-12(6-8-13)11-18(21)16-9-10-17(20)15-4-2-1-3-14(15)16/h1-10,18H,11,21H2.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine?
1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine has a molecular weight of 316.23 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 79592123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).