4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine

C17H22N2 — CID 115126227

IUPAC4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
SMILESCc1ccc(N)c(Nc2cc(C(C)C)ccc2C)c1
InChIInChI=1S/C17H22N2/c1-11(2)14-7-6-13(4)16(10-14)19-17-9-12(3)5-8-15(17)18/h5-11,19H,18H2,1-4H3
InChIKeyVWSFSQMKQRIBAE-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.75
Rot. Bonds3

About 4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine

4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine (PubChem CID 115126227) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
PubChem CID115126227
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
SMILESCc1ccc(N)c(Nc2cc(C(C)C)ccc2C)c1
InChIInChI=1S/C17H22N2/c1-11(2)14-7-6-13(4)16(10-14)19-17-9-12(3)5-8-15(17)18/h5-11,19H,18H2,1-4H3
InChIKeyVWSFSQMKQRIBAE-UHFFFAOYSA-N
XLogP4.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.75
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

4-amino-3-(2,5-dimethylanilino)benzonitrile
CID 104711457
2,4-dimethylaniline;4-propan-2-ylaniline
CID 158951075
2-N-(4-aminophenyl)-4-methylbenzene-1,2-diamine;dihydrochloride
CID 70626485
1-N-(2,5-dimethylphenyl)-4-fluorobenzene-1,2-diamine
CID 29067161
1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
CID 57130016
(2-methyl-5-propan-2-ylphenyl)hydrazine;hydrochloride
CID 155977870
4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine
CID 163370554
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 115126204
2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 56636906
4-N-(2,5-dimethylphenyl)-2,8-dimethylquinoline-4,5-diamine
CID 828014

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine (CID 115126227) is 4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine is Cc1ccc(N)c(Nc2cc(C(C)C)ccc2C)c1.
What is the InChIKey of 4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine?
The InChIKey is VWSFSQMKQRIBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-11(2)14-7-6-13(4)16(10-14)19-17-9-12(3)5-8-15(17)18/h5-11,19H,18H2,1-4H3.
What are the key properties of 4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine?
4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 115126227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).