2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one

C15H23NO — CID 112512195

IUPAC2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one
SMILESCCC(NC)C(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H23NO/c1-5-14(16-4)15(17)13-8-6-12(7-9-13)10-11(2)3/h6-9,11,14,16H,5,10H2,1-4H3
InChIKeyJMVOLHOIPBXCAH-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.07
Rot. Bonds6

About 2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one

2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one (PubChem CID 112512195) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one
PubChem CID112512195
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one
SMILESCCC(NC)C(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H23NO/c1-5-14(16-4)15(17)13-8-6-12(7-9-13)10-11(2)3/h6-9,11,14,16H,5,10H2,1-4H3
InChIKeyJMVOLHOIPBXCAH-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one 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-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 112512252
(2S)-2-chloro-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 6931819
2-(cyclopropylamino)-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 112514525
2-bromo-2-chloro-1-[4-(2-methylpropyl)phenyl]ethanone
CID 116863838
5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82347772
2-(aminomethyl)-3-methyl-1-[4-(2-methylpropyl)phenyl]butan-1-one
CID 116923387
3-(cyclopropylamino)-4-[4-(2-methylpropyl)phenyl]-4-oxobutanoic acid
CID 82322826
5-(4-butan-2-ylphenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82349312
4-methyl-2-(methylamino)-1-(4-methylphenyl)pentan-1-one;hydrochloride
CID 171323405
amino 4-(2-methylpropyl)benzoate
CID 163714335
1,3-bis(4-chlorophenyl)-2-methylpropan-1-one
CID 86090557
(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338104

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one?
The IUPAC name of 2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one (CID 112512195) is 2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one.
What is the SMILES notation for 2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one?
The canonical SMILES for 2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one is CCC(NC)C(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one?
The InChIKey is JMVOLHOIPBXCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-14(16-4)15(17)13-8-6-12(7-9-13)10-11(2)3/h6-9,11,14,16H,5,10H2,1-4H3.
What are the key properties of 2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one?
2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one is sourced from PubChem (CID 112512195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).