1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine

C16H20N2 — CID 57130016

IUPAC1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
SMILESCc1ccc(C)c(Nc2cc(C)cc(C)c2N)c1
InChIInChI=1S/C16H20N2/c1-10-5-6-12(3)14(8-10)18-15-9-11(2)7-13(4)16(15)17/h5-9,18H,17H2,1-4H3
InChIKeyPPXMSQWUOGGPJE-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.25
Rot. Bonds2

About 1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine

1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine (PubChem CID 57130016) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
PubChem CID57130016
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
SMILESCc1ccc(C)c(Nc2cc(C)cc(C)c2N)c1
InChIInChI=1S/C16H20N2/c1-10-5-6-12(3)14(8-10)18-15-9-11(2)7-13(4)16(15)17/h5-9,18H,17H2,1-4H3
InChIKeyPPXMSQWUOGGPJE-UHFFFAOYSA-N
XLogP4.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-1-N-phenylbenzene-1,2-diamine
CID 91671728
4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine
CID 163370554
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547055
1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
CID 29067161
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
cobalt;2,4,6-trimethylaniline
CID 159454360
4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
CID 115126227
4-amino-3-(2,5-dimethylanilino)benzonitrile
CID 104711457
6-N-(4-bromophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547057
5-amino-3-(2,5-dimethylanilino)-2-methylbenzenesulfonamide
CID 79899513
3,5-dimethylaniline;2,4,6-trimethylaniline
CID 159725455

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine (CID 57130016) is 1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine is Cc1ccc(C)c(Nc2cc(C)cc(C)c2N)c1.
What is the InChIKey of 1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine?
The InChIKey is PPXMSQWUOGGPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-10-5-6-12(3)14(8-10)18-15-9-11(2)7-13(4)16(15)17/h5-9,18H,17H2,1-4H3.
What are the key properties of 1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine?
1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 57130016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).