2-methyl-6-(3-methylbutyl)aniline

C12H19N — CID 105437241

IUPAC2-methyl-6-(3-methylbutyl)aniline
SMILESCc1cccc(CCC(C)C)c1N
InChIInChI=1S/C12H19N/c1-9(2)7-8-11-6-4-5-10(3)12(11)13/h4-6,9H,7-8,13H2,1-3H3
InChIKeyWXHBSFIEMMTSFW-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.17
Rot. Bonds3

About 2-methyl-6-(3-methylbutyl)aniline

2-methyl-6-(3-methylbutyl)aniline (PubChem CID 105437241) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-methyl-6-(3-methylbutyl)aniline.

Molecular Properties

Compound Name2-methyl-6-(3-methylbutyl)aniline
PubChem CID105437241
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-methyl-6-(3-methylbutyl)aniline
SMILESCc1cccc(CCC(C)C)c1N
InChIInChI=1S/C12H19N/c1-9(2)7-8-11-6-4-5-10(3)12(11)13/h4-6,9H,7-8,13H2,1-3H3
InChIKeyWXHBSFIEMMTSFW-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-3-(3-methylbutyl)benzene
CID 86189898
2-[(2R)-2-aminopropyl]-6-methylaniline
CID 130618077
2-[2-(2-amino-3-methylphenyl)ethyl]phenol
CID 174546991
1,3-dimethyl-2-(3-methylbutyl)benzene
CID 59833052
ethane;2-(3-methylbutyl)aniline
CID 143042088
2-methyl-6-(3-methylbutylsulfanylmethyl)phenol
CID 141259471
5-(2,3-dimethylphenyl)pentane-2,3-diol
CID 83922085
bis[2,3-bis(3-methylbutyl)phenyl]methanone
CID 159869020
1-(3-methylbutyl)-2-propan-2-ylbenzene
CID 18417614
3-methyl-2-(4-methylpentyl)phenol
CID 23036638
4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902
[1-(3-methylbutylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 60719924

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylbutyl)aniline?
The IUPAC name of 2-methyl-6-(3-methylbutyl)aniline (CID 105437241) is 2-methyl-6-(3-methylbutyl)aniline.
What is the SMILES notation for 2-methyl-6-(3-methylbutyl)aniline?
The canonical SMILES for 2-methyl-6-(3-methylbutyl)aniline is Cc1cccc(CCC(C)C)c1N.
What is the InChIKey of 2-methyl-6-(3-methylbutyl)aniline?
The InChIKey is WXHBSFIEMMTSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)7-8-11-6-4-5-10(3)12(11)13/h4-6,9H,7-8,13H2,1-3H3.
What are the key properties of 2-methyl-6-(3-methylbutyl)aniline?
2-methyl-6-(3-methylbutyl)aniline has a molecular weight of 177.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylbutyl)aniline is sourced from PubChem (CID 105437241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).