3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine

C16H20N2 — CID 117028936

IUPAC3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCNc1cccc(N(C)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H20N2/c1-12-8-9-16(10-13(12)2)18(4)15-7-5-6-14(11-15)17-3/h5-11,17H,1-4H3
InChIKeyUMTGRBSGAKEAPP-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.11
Rot. Bonds3

About 3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine

3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 117028936) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID117028936
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
SMILESCNc1cccc(N(C)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H20N2/c1-12-8-9-16(10-13(12)2)18(4)15-7-5-6-14(11-15)17-3/h5-11,17H,1-4H3
InChIKeyUMTGRBSGAKEAPP-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(4-tert-butylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028949
3-N-(4-ethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028941
1-N,3-N-dimethyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 117041090
3-N-(4,6-dimethylpyrimidin-2-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117044722
3-N-(4-chloro-2-methylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117028957
5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one
CID 117041078
3-(N,3,4-trimethylanilino)benzoic acid
CID 117029291
N-(3,4-dimethylphenyl)-N-methylnaphthalen-2-amine
CID 163968622
3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041076
1-N,3-N-dimethyl-3-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,3-diamine
CID 117041145
6-[N-methyl-3-(methylamino)anilino]-3H-1,3-benzoxazol-2-one
CID 117041083
N,N,3,4-tetramethylaniline
CID 12595466

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine (CID 117028936) is 3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine is CNc1cccc(N(C)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is UMTGRBSGAKEAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-8-9-16(10-13(12)2)18(4)15-7-5-6-14(11-15)17-3/h5-11,17H,1-4H3.
What are the key properties of 3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine?
3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 240.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,4-dimethylphenyl)-1-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 117028936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).