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

C12H19N — CID 43103774

IUPAC3-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1cccc(C)c1
InChIInChI=1S/C12H19N/c1-4-10(2)9-13-12-7-5-6-11(3)8-12/h5-8,10,13H,4,9H2,1-3H3
InChIKeyMYPOWKBOJVQEGT-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.45
Rot. Bonds4

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

3-methyl-N-(2-methylbutyl)aniline (PubChem CID 43103774) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-methyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name3-methyl-N-(2-methylbutyl)aniline
PubChem CID43103774
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CNc1cccc(C)c1
InChIInChI=1S/C12H19N/c1-4-10(2)9-13-12-7-5-6-11(3)8-12/h5-8,10,13H,4,9H2,1-3H3
InChIKeyMYPOWKBOJVQEGT-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-(2-methylpentyl)aniline
CID 43103474
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
3-[[(2S)-2-methylbutyl]amino]benzonitrile
CID 28615968
N-(2-methylbutyl)-3-methylsulfonylaniline
CID 60924452
N-(2-methylbutyl)-3-pyrrol-1-ylaniline
CID 43732946
N-[(E)-2,4-dimethylhex-4-enyl]-3-methylaniline
CID 142295227
N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 62560569
4-methyl-1-N-(3-methylphenyl)pentane-1,2-diamine
CID 83945325
3-(3-methylanilino)propane-1,2-diol
CID 3016394
2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60902513
4-bromo-N-(2-methylbutyl)aniline
CID 43201294

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylbutyl)aniline?
The IUPAC name of 3-methyl-N-(2-methylbutyl)aniline (CID 43103774) is 3-methyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 3-methyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 3-methyl-N-(2-methylbutyl)aniline is CCC(C)CNc1cccc(C)c1.
What is the InChIKey of 3-methyl-N-(2-methylbutyl)aniline?
The InChIKey is MYPOWKBOJVQEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-10(2)9-13-12-7-5-6-11(3)8-12/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of 3-methyl-N-(2-methylbutyl)aniline?
3-methyl-N-(2-methylbutyl)aniline has a molecular weight of 177.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 43103774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).