2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one

C14H21NO2 — CID 112512252

IUPAC2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
SMILESCCC(NC)C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-5-13(15-4)14(16)11-6-8-12(9-7-11)17-10(2)3/h6-10,13,15H,5H2,1-4H3
InChIKeyJPRKITUDPYBLEX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.65
Rot. Bonds6

About 2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one

2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one (PubChem CID 112512252) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
PubChem CID112512252
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
SMILESCCC(NC)C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-5-13(15-4)14(16)11-6-8-12(9-7-11)17-10(2)3/h6-10,13,15H,5H2,1-4H3
InChIKeyJPRKITUDPYBLEX-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-1-(4-propan-2-yloxyphenyl)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-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100873
2-(butylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100874
2-(methylamino)-1-[4-(2-methylpropyl)phenyl]butan-1-one
CID 112512195
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 22111343
2-methyl-3-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116918210
2-[2-(dimethylamino)ethylamino]-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100899
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
2-[1-(4-propan-2-yloxyphenyl)ethylamino]butanoic acid
CID 115352442
2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 116557003
N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide
CID 79676602

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one?
The IUPAC name of 2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one (CID 112512252) is 2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one.
What is the SMILES notation for 2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one?
The canonical SMILES for 2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one is CCC(NC)C(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one?
The InChIKey is JPRKITUDPYBLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-13(15-4)14(16)11-6-8-12(9-7-11)17-10(2)3/h6-10,13,15H,5H2,1-4H3.
What are the key properties of 2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one?
2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one is sourced from PubChem (CID 112512252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).