2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide

C13H19FN2O2 — CID 54939409

IUPAC2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-4-11(15)13(17)16(2)8-9-5-6-12(18-3)10(14)7-9/h5-7,11H,4,8,15H2,1-3H3
InChIKeyNEVDOMPZCULDMW-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.53
Rot. Bonds5

About 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide

2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide (PubChem CID 54939409) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide
PubChem CID54939409
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide
SMILESCCC(N)C(=O)N(C)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-4-11(15)13(17)16(2)8-9-5-6-12(18-3)10(14)7-9/h5-7,11H,4,8,15H2,1-3H3
InChIKeyNEVDOMPZCULDMW-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide 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

(2S)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024662
(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 94453979
ethyl 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoacetate
CID 115142014
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
CID 60937652
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 78795725
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024442
(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 81075378

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide?
The IUPAC name of 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide (CID 54939409) is 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide is CCC(N)C(=O)N(C)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide?
The InChIKey is NEVDOMPZCULDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-11(15)13(17)16(2)8-9-5-6-12(18-3)10(14)7-9/h5-7,11H,4,8,15H2,1-3H3.
What are the key properties of 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide?
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide has a molecular weight of 254.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 54939409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).