1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine

C17H22N2 — CID 115125026

IUPAC1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine
SMILESCc1ccc(N(C)c2ccc(C)c(C)c2C)c(N)c1
InChIInChI=1S/C17H22N2/c1-11-6-8-17(15(18)10-11)19(5)16-9-7-12(2)13(3)14(16)4/h6-10H,18H2,1-5H3
InChIKeyNGUDBGKZAOBBLH-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.27
Rot. Bonds2

About 1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine

1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine (PubChem CID 115125026) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine
PubChem CID115125026
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine
SMILESCc1ccc(N(C)c2ccc(C)c(C)c2C)c(N)c1
InChIInChI=1S/C17H22N2/c1-11-6-8-17(15(18)10-11)19(5)16-9-7-12(2)13(3)14(16)4/h6-10H,18H2,1-5H3
InChIKeyNGUDBGKZAOBBLH-UHFFFAOYSA-N
XLogP4.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3,5-dimethylphenyl)-1-N,4-dimethylbenzene-1,2-diamine
CID 62003537
N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline
CID 163804282
1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179
2-N,3-dimethyl-2-N-(2,3,4-trimethylphenyl)pyridine-2,5-diamine
CID 115147926
2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine
CID 115126395
2-[amino(tert-butyl)amino]-5-methylaniline
CID 134239306
N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline
CID 117041651
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
1-N-[2-(5-bromo-2-methylphenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 115125153
3-amino-4-(2-methoxy-N,5-dimethylanilino)benzonitrile
CID 115127414
1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656745
2-amino-4,7-dimethylcyclohepta-2,4,6-trien-1-one
CID 55289737

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine (CID 115125026) is 1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine is Cc1ccc(N(C)c2ccc(C)c(C)c2C)c(N)c1.
What is the InChIKey of 1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine?
The InChIKey is NGUDBGKZAOBBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-11-6-8-17(15(18)10-11)19(5)16-9-7-12(2)13(3)14(16)4/h6-10H,18H2,1-5H3.
What are the key properties of 1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine?
1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 115125026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).