3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine

C15H17ClN2 — CID 117028957

IUPAC3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCNc1cccc(N(C)c2ccc(Cl)cc2C)c1
InChIInChI=1S/C15H17ClN2/c1-11-9-12(16)7-8-15(11)18(3)14-6-4-5-13(10-14)17-2/h4-10,17H,1-3H3
InChIKeyYEBHEEVFACTCDX-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.46
Rot. Bonds3

About 3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine

3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 117028957) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID117028957
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCNc1cccc(N(C)c2ccc(Cl)cc2C)c1
InChIInChI=1S/C15H17ClN2/c1-11-9-12(16)7-8-15(11)18(3)14-6-4-5-13(10-14)17-2/h4-10,17H,1-3H3
InChIKeyYEBHEEVFACTCDX-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117029080
3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028936
1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 117041090
4-chloro-N,N,2-trimethylaniline;ethane
CID 143418789
3-N-(4,6-dimethylpyrimidin-2-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117044722
3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028949
3-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212134
ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine
CID 143018944
1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine
CID 117041066
3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028941
1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine
CID 117041145
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine (CID 117028957) is 3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine is CNc1cccc(N(C)c2ccc(Cl)cc2C)c1.
What is the InChIKey of 3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is YEBHEEVFACTCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-9-12(16)7-8-15(11)18(3)14-6-4-5-13(10-14)17-2/h4-10,17H,1-3H3.
What are the key properties of 3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 260.77 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 117028957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).