1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine

C17H21ClN2 — CID 62003703

IUPAC1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
SMILESCc1cc(C)cc(N(C)C(CN)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H21ClN2/c1-12-8-13(2)10-16(9-12)20(3)17(11-19)14-4-6-15(18)7-5-14/h4-10,17H,11,19H2,1-3H3
InChIKeyAAKIEBZWZURLCK-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.09
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine

1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine (PubChem CID 62003703) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
PubChem CID62003703
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
SMILESCc1cc(C)cc(N(C)C(CN)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H21ClN2/c1-12-8-13(2)10-16(9-12)20(3)17(11-19)14-4-6-15(18)7-5-14/h4-10,17H,11,19H2,1-3H3
InChIKeyAAKIEBZWZURLCK-UHFFFAOYSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62002810
1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62001665
1-(2,4-difluorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62002988
N-(3,5-dimethylphenyl)-N-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62004079
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62122195
1-(4-chlorophenyl)-N-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62002195
N-(3,5-dimethylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62003890
1-(4-fluoro-3-methylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 62121476
1-(3-bromothiophen-2-yl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 115380401
1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61429742
1-(3-chloro-5-fluorophenyl)-N-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 114453362
1-(4-chloro-2-fluorophenyl)-N-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 114843084

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine (CID 62003703) is 1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine is Cc1cc(C)cc(N(C)C(CN)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is AAKIEBZWZURLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-12-8-13(2)10-16(9-12)20(3)17(11-19)14-4-6-15(18)7-5-14/h4-10,17H,11,19H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine?
1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 288.82 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 62003703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).