1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine

C16H19ClN2 — CID 62001665

IUPAC1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(N(C)C(CN)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H19ClN2/c1-12-5-3-8-15(9-12)19(2)16(11-18)13-6-4-7-14(17)10-13/h3-10,16H,11,18H2,1-2H3
InChIKeyZSPFAKBWEOTQQT-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.78
Rot. Bonds4

About 1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine

1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 62001665) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID62001665
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(N(C)C(CN)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H19ClN2/c1-12-5-3-8-15(9-12)19(2)16(11-18)13-6-4-7-14(17)10-13/h3-10,16H,11,18H2,1-2H3
InChIKeyZSPFAKBWEOTQQT-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62122195
1-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-N-methylethane-1,2-diamine
CID 62003703
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 103569563
N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 62003718
1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
CID 43613871
1-(2,3-difluorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63668595
1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560
1-(3-chloro-4-fluorophenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 81148330
1-(3-chlorophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63495320
1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568892
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide
CID 55019790
2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine
CID 62950232

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine (CID 62001665) is 1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(N(C)C(CN)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is ZSPFAKBWEOTQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12-5-3-8-15(9-12)19(2)16(11-18)13-6-4-7-14(17)10-13/h3-10,16H,11,18H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 274.80 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62001665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).