2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride

C28H30Cl2N2 — CID 45264915

IUPAC2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride
SMILESCC(NCC(Cc1ccccc1)NCc1ccccc1Cl)c1cccc2ccccc12.Cl
InChIInChI=1S/C28H29ClN2.ClH/c1-21(26-16-9-14-23-12-5-7-15-27(23)26)30-20-25(18-22-10-3-2-4-11-22)31-19-24-13-6-8-17-28(24)29;/h2-17,21,25,30-31H,18-20H2,1H3;1H
InChIKeyKMTVTOSPZHMOMO-UHFFFAOYSA-N
MW465.47 g/mol
LogP6.97
Rot. Bonds9

About 2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride

2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride (PubChem CID 45264915) has the molecular formula C28H30Cl2N2 and a molecular weight of 465.47 g/mol. Its IUPAC name is 2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride
PubChem CID45264915
Molecular FormulaC28H30Cl2N2
Molecular Weight465.47 g/mol
Exact Mass464.18
IUPAC Name2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride
SMILESCC(NCC(Cc1ccccc1)NCc1ccccc1Cl)c1cccc2ccccc12.Cl
InChIInChI=1S/C28H29ClN2.ClH/c1-21(26-16-9-14-23-12-5-7-15-27(23)26)30-20-25(18-22-10-3-2-4-11-22)31-19-24-13-6-8-17-28(24)29;/h2-17,21,25,30-31H,18-20H2,1H3;1H
InChIKeyKMTVTOSPZHMOMO-UHFFFAOYSA-N
XLogP6.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.47
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;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 2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride (CID 45264915) is 2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride is CC(NCC(Cc1ccccc1)NCc1ccccc1Cl)c1cccc2ccccc12.Cl.
What is the InChIKey of 2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride?
The InChIKey is KMTVTOSPZHMOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2.ClH/c1-21(26-16-9-14-23-12-5-7-15-27(23)26)30-20-25(18-22-10-3-2-4-11-22)31-19-24-13-6-8-17-28(24)29;/h2-17,21,25,30-31H,18-20H2,1H3;1H.
What are the key properties of 2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride?
2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride has a molecular weight of 465.47 g/mol, XLogP of 6.97, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chlorophenyl)methyl]-1-N-(1-naphthalen-1-ylethyl)-3-phenylpropane-1,2-diamine;hydrochloride is sourced from PubChem (CID 45264915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).