2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one

C15H22FNO — CID 106883129

IUPAC2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one
SMILESCCC(CC)(CN)C(=O)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H22FNO/c1-5-15(6-2,9-17)14(18)13-11(4)7-10(3)8-12(13)16/h7-8H,5-6,9,17H2,1-4H3
InChIKeyKBDXPFLXSRIJKE-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.39
Rot. Bonds5

About 2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one

2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one (PubChem CID 106883129) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one
PubChem CID106883129
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one
SMILESCCC(CC)(CN)C(=O)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H22FNO/c1-5-15(6-2,9-17)14(18)13-11(4)7-10(3)8-12(13)16/h7-8H,5-6,9,17H2,1-4H3
InChIKeyKBDXPFLXSRIJKE-UHFFFAOYSA-N
XLogP3.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)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

1-(2-fluoro-4,6-dimethylphenyl)-2,2-dimethylbutan-1-one
CID 106883231
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 130665453
3-(aminomethyl)-3-ethyl-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 116603890
1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
CID 106880851
3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883011
2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one
CID 106883040
2-(4-aminophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883112
2-(azepan-1-yl)-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106880847
N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide
CID 63764973
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314
1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 106880988

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one (CID 106883129) is 2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one is CCC(CC)(CN)C(=O)c1c(C)cc(C)cc1F.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one?
The InChIKey is KBDXPFLXSRIJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-5-15(6-2,9-17)14(18)13-11(4)7-10(3)8-12(13)16/h7-8H,5-6,9,17H2,1-4H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one?
2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one has a molecular weight of 251.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-one is sourced from PubChem (CID 106883129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).