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

C12H19N — CID 60996372

IUPAC3-methyl-4-(4-methylphenyl)butan-2-amine
SMILESCc1ccc(CC(C)C(C)N)cc1
InChIInChI=1S/C12H19N/c1-9-4-6-12(7-5-9)8-10(2)11(3)13/h4-7,10-11H,8,13H2,1-3H3
InChIKeyIHKXLZXUPVYKAY-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.52
Rot. Bonds3

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

3-methyl-4-(4-methylphenyl)butan-2-amine (PubChem CID 60996372) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-methyl-4-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-4-(4-methylphenyl)butan-2-amine
PubChem CID60996372
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name3-methyl-4-(4-methylphenyl)butan-2-amine
SMILESCc1ccc(CC(C)C(C)N)cc1
InChIInChI=1S/C12H19N/c1-9-4-6-12(7-5-9)8-10(2)11(3)13/h4-7,10-11H,8,13H2,1-3H3
InChIKeyIHKXLZXUPVYKAY-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine
CID 178163146
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
3-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-amine
CID 19073696
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
N,2-dimethyl-1-(4-methylphenyl)pentan-3-amine
CID 63561742
3-methyl-1-(4-methylphenyl)but-3-en-2-amine
CID 79190743
2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423604
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
1-cyclopropyl-2-(4-methylphenyl)ethanamine
CID 60818816
(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
4-methyl-1-(4-methylphenyl)heptan-2-amine
CID 62605792

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylphenyl)butan-2-amine?
The IUPAC name of 3-methyl-4-(4-methylphenyl)butan-2-amine (CID 60996372) is 3-methyl-4-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 3-methyl-4-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 3-methyl-4-(4-methylphenyl)butan-2-amine is Cc1ccc(CC(C)C(C)N)cc1.
What is the InChIKey of 3-methyl-4-(4-methylphenyl)butan-2-amine?
The InChIKey is IHKXLZXUPVYKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9-4-6-12(7-5-9)8-10(2)11(3)13/h4-7,10-11H,8,13H2,1-3H3.
What are the key properties of 3-methyl-4-(4-methylphenyl)butan-2-amine?
3-methyl-4-(4-methylphenyl)butan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 60996372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).