3-methyl-2-(2-methylpropyl)aniline

C11H17N — CID 21420803

IUPAC3-methyl-2-(2-methylpropyl)aniline
SMILESCc1cccc(N)c1CC(C)C
InChIInChI=1S/C11H17N/c1-8(2)7-10-9(3)5-4-6-11(10)12/h4-6,8H,7,12H2,1-3H3
InChIKeyOQLHYMZSGNFOQR-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.78
Rot. Bonds2

About 3-methyl-2-(2-methylpropyl)aniline

3-methyl-2-(2-methylpropyl)aniline (PubChem CID 21420803) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-methyl-2-(2-methylpropyl)aniline.

Molecular Properties

Compound Name3-methyl-2-(2-methylpropyl)aniline
PubChem CID21420803
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-methyl-2-(2-methylpropyl)aniline
SMILESCc1cccc(N)c1CC(C)C
InChIInChI=1S/C11H17N/c1-8(2)7-10-9(3)5-4-6-11(10)12/h4-6,8H,7,12H2,1-3H3
InChIKeyOQLHYMZSGNFOQR-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methyl-2-(2-methylpropyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylaniline;2-methylpropan-1-amine
CID 22279170
(2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride
CID 175702028
2-[[dichloro(methyl)silyl]methyl]-3-methylaniline
CID 141420521
2-methylaniline;2-methylpropane
CID 91027920
1,3-dimethyl-2-(3-methylbutyl)benzene
CID 59833052
3-methyl-2-(2-methylpropoxy)aniline
CID 70699878
(2-amino-6-methylphenyl)methanesulfinate
CID 89243020
3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 82668611
2-[(4-chlorophenyl)methyl]-3-methylaniline
CID 70469771
1,3-diiodo-2-(2-methylpropyl)benzene
CID 59615643
5-(2-methylpropyl)naphthalen-1-amine
CID 134233133
4-(2-amino-6-methylphenyl)butanoic acid
CID 83853038

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylpropyl)aniline?
The IUPAC name of 3-methyl-2-(2-methylpropyl)aniline (CID 21420803) is 3-methyl-2-(2-methylpropyl)aniline.
What is the SMILES notation for 3-methyl-2-(2-methylpropyl)aniline?
The canonical SMILES for 3-methyl-2-(2-methylpropyl)aniline is Cc1cccc(N)c1CC(C)C.
What is the InChIKey of 3-methyl-2-(2-methylpropyl)aniline?
The InChIKey is OQLHYMZSGNFOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8(2)7-10-9(3)5-4-6-11(10)12/h4-6,8H,7,12H2,1-3H3.
What are the key properties of 3-methyl-2-(2-methylpropyl)aniline?
3-methyl-2-(2-methylpropyl)aniline has a molecular weight of 163.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylpropyl)aniline is sourced from PubChem (CID 21420803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).