4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine

C18H24N2 — CID 115125181

IUPAC4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine
SMILESCc1cccc(C(C)(C)CNc2ccc(C)cc2N)c1
InChIInChI=1S/C18H24N2/c1-13-6-5-7-15(10-13)18(3,4)12-20-17-9-8-14(2)11-16(17)19/h5-11,20H,12,19H2,1-4H3
InChIKeyZQRDYYLPHREQKZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.28
Rot. Bonds4

About 4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine

4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine (PubChem CID 115125181) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine
PubChem CID115125181
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine
SMILESCc1cccc(C(C)(C)CNc2ccc(C)cc2N)c1
InChIInChI=1S/C18H24N2/c1-13-6-5-7-15(10-13)18(3,4)12-20-17-9-8-14(2)11-16(17)19/h5-11,20H,12,19H2,1-4H3
InChIKeyZQRDYYLPHREQKZ-UHFFFAOYSA-N
XLogP4.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.28
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

N-tert-butyl-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 62595182
4-(2-amino-4-methylanilino)-3,3-dimethylbutan-1-ol
CID 106140671
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
4-methyl-1-N-(2-phenylpropan-2-yl)benzene-1,2-diamine
CID 114264058
2-methyl-2-(3-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62595545
2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine
CID 115198955
4-methyl-2-N-(2-methyl-2-pyridin-4-ylpropyl)benzene-1,2-diamine
CID 115126478
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen
CID 144996884
1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine
CID 174946886
4-[[2-methyl-2-(3-methylphenyl)propyl]amino]cyclohexan-1-ol
CID 115149642
3-[[[2-methyl-2-(3-methylphenyl)propyl]amino]methyl]cyclobutan-1-amine
CID 115214425

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine?
The IUPAC name of 4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine (CID 115125181) is 4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine?
The canonical SMILES for 4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine is Cc1cccc(C(C)(C)CNc2ccc(C)cc2N)c1.
What is the InChIKey of 4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine?
The InChIKey is ZQRDYYLPHREQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-6-5-7-15(10-13)18(3,4)12-20-17-9-8-14(2)11-16(17)19/h5-11,20H,12,19H2,1-4H3.
What are the key properties of 4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine?
4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine is sourced from PubChem (CID 115125181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).