2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one

C14H20FNO2 — CID 116603784

IUPAC2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one
SMILESCCC(CC)(CN)C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-4-14(5-2,9-16)13(17)10-6-7-12(18-3)11(15)8-10/h6-8H,4-5,9,16H2,1-3H3
InChIKeyUVIFMMJLFOQYFF-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.78
Rot. Bonds6

About 2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one

2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one (PubChem CID 116603784) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one
PubChem CID116603784
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one
SMILESCCC(CC)(CN)C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-4-14(5-2,9-16)13(17)10-6-7-12(18-3)11(15)8-10/h6-8H,4-5,9,16H2,1-3H3
InChIKeyUVIFMMJLFOQYFF-UHFFFAOYSA-N
XLogP2.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)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

4-amino-1-(3-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116916448
2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one
CID 116557002
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one
CID 116564462
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
3-fluoro-4-methoxybenzoate
CID 4251674
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 105097300
3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 81463484
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-fluoro-4-methoxybenzamide
CID 62919550

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one?
The IUPAC name of 2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one (CID 116603784) is 2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one is CCC(CC)(CN)C(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one?
The InChIKey is UVIFMMJLFOQYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-14(5-2,9-16)13(17)10-6-7-12(18-3)11(15)8-10/h6-8H,4-5,9,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one?
2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one has a molecular weight of 253.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one is sourced from PubChem (CID 116603784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).