N'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine

C19H25ClN2O — CID 155512540

IUPACN'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(CCN(CCN(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H25ClN2O/c1-21(2)14-15-22(18-8-6-17(20)7-9-18)13-12-16-4-10-19(23-3)11-5-16/h4-11H,12-15H2,1-3H3
InChIKeySLIAUJGDCCTOIN-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.96
Rot. Bonds8

About N'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine

N'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 155512540) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
PubChem CID155512540
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC NameN'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(CCN(CCN(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H25ClN2O/c1-21(2)14-15-22(18-8-6-17(20)7-9-18)13-12-16-4-10-19(23-3)11-5-16/h4-11H,12-15H2,1-3H3
InChIKeySLIAUJGDCCTOIN-UHFFFAOYSA-N
XLogP3.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine 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 N'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine (CID 155512540) is N'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine is COc1ccc(CCN(CCN(C)C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is SLIAUJGDCCTOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O/c1-21(2)14-15-22(18-8-6-17(20)7-9-18)13-12-16-4-10-19(23-3)11-5-16/h4-11H,12-15H2,1-3H3.
What are the key properties of N'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine?
N'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 332.88 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 155512540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).