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

C18H23ClN2O — CID 155552013

IUPACN'-(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H23ClN2O/c1-20(2)12-13-21(17-8-6-16(19)7-9-17)14-15-4-10-18(22-3)11-5-15/h4-11H,12-14H2,1-3H3
InChIKeyVSYBZXQXGXRJKA-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.92
Rot. Bonds7

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

N'-(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 155552013) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID155552013
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC NameN'-(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H23ClN2O/c1-20(2)12-13-21(17-8-6-16(19)7-9-17)14-15-4-10-18(22-3)11-5-15/h4-11H,12-14H2,1-3H3
InChIKeyVSYBZXQXGXRJKA-UHFFFAOYSA-N
XLogP3.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N'-(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-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'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine (CID 155552013) is N'-(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine is COc1ccc(CN(CCN(C)C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is VSYBZXQXGXRJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O/c1-20(2)12-13-21(17-8-6-16(19)7-9-17)14-15-4-10-18(22-3)11-5-15/h4-11H,12-14H2,1-3H3.
What are the key properties of N'-(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine?
N'-(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 318.85 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N'-[(4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 155552013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).