2-methyl-3-(4-methylphenyl)butan-2-amine

C12H19N — CID 137466082

IUPAC2-methyl-3-(4-methylphenyl)butan-2-amine
SMILESCc1ccc(C(C)C(C)(C)N)cc1
InChIInChI=1S/C12H19N/c1-9-5-7-11(8-6-9)10(2)12(3,4)13/h5-8,10H,13H2,1-4H3
InChIKeyVGVPWPQZOYVQIJ-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.84
Rot. Bonds2

About 2-methyl-3-(4-methylphenyl)butan-2-amine

2-methyl-3-(4-methylphenyl)butan-2-amine (PubChem CID 137466082) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-methyl-3-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-3-(4-methylphenyl)butan-2-amine
PubChem CID137466082
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-methyl-3-(4-methylphenyl)butan-2-amine
SMILESCc1ccc(C(C)C(C)(C)N)cc1
InChIInChI=1S/C12H19N/c1-9-5-7-11(8-6-9)10(2)12(3,4)13/h5-8,10H,13H2,1-4H3
InChIKeyVGVPWPQZOYVQIJ-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2S)-3,3-dimethylbutan-2-yl]-4-methylbenzene
CID 58051727
3-(4-chlorophenyl)-2-methylbutan-2-amine
CID 82398516
1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene
CID 86327346
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 144598850
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)propan-2-amine
CID 63408137
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
CID 143322905
CID 143322905
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
1-methyl-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 91000681
2-methyl-4-(4-methylphenyl)pentan-2-ol
CID 11041610

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylphenyl)butan-2-amine?
The IUPAC name of 2-methyl-3-(4-methylphenyl)butan-2-amine (CID 137466082) is 2-methyl-3-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 2-methyl-3-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 2-methyl-3-(4-methylphenyl)butan-2-amine is Cc1ccc(C(C)C(C)(C)N)cc1.
What is the InChIKey of 2-methyl-3-(4-methylphenyl)butan-2-amine?
The InChIKey is VGVPWPQZOYVQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9-5-7-11(8-6-9)10(2)12(3,4)13/h5-8,10H,13H2,1-4H3.
What are the key properties of 2-methyl-3-(4-methylphenyl)butan-2-amine?
2-methyl-3-(4-methylphenyl)butan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 137466082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).