1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine

C18H15Cl2N — CID 63527360

IUPAC1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine
SMILESNC(Cc1cccc2ccccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H15Cl2N/c19-16-9-8-14(10-17(16)20)18(21)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18H,11,21H2
InChIKeyOPBSMLJUZVFQGV-UHFFFAOYSA-N
MW316.23 g/mol
LogP5.39
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine

1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine (PubChem CID 63527360) has the molecular formula C18H15Cl2N and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine
PubChem CID63527360
Molecular FormulaC18H15Cl2N
Molecular Weight316.23 g/mol
Exact Mass315.06
IUPAC Name1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine
SMILESNC(Cc1cccc2ccccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H15Cl2N/c19-16-9-8-14(10-17(16)20)18(21)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18H,11,21H2
InChIKeyOPBSMLJUZVFQGV-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-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine 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-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine
CID 63418657
2-naphthalen-1-yl-1-pyridin-4-ylethanamine
CID 61079955
1-(4-fluoro-3-methylphenyl)-2-naphthalen-1-ylethanamine
CID 62600642
1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine
CID 63527361
1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene
CID 63444748
1-(4-chloro-3-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997370
1-[2-bromo-2-(4-bromo-3-chlorophenyl)ethyl]naphthalene
CID 81294123
1-(5-methylthiophen-3-yl)-2-naphthalen-1-ylethanamine
CID 105155456
1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene
CID 63518155
2-(2-chlorophenyl)-1-quinolin-6-ylethanamine
CID 63095273
1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine
CID 81494685
2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491392

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine (CID 63527360) is 1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine is NC(Cc1cccc2ccccc12)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine?
The InChIKey is OPBSMLJUZVFQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N/c19-16-9-8-14(10-17(16)20)18(21)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18H,11,21H2.
What are the key properties of 1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine?
1-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine 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-(3,4-dichlorophenyl)-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 63527360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).