2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide

C12H17FN2O2 — CID 115186809

IUPAC2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide
SMILESCCC(CN)C(=O)Nc1cc(F)ccc1OC
InChIInChI=1S/C12H17FN2O2/c1-3-8(7-14)12(16)15-10-6-9(13)4-5-11(10)17-2/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyZHCKTLPHCJXVRH-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.76
Rot. Bonds5

About 2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide

2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide (PubChem CID 115186809) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide
PubChem CID115186809
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide
SMILESCCC(CN)C(=O)Nc1cc(F)ccc1OC
InChIInChI=1S/C12H17FN2O2/c1-3-8(7-14)12(16)15-10-6-9(13)4-5-11(10)17-2/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyZHCKTLPHCJXVRH-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide 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-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide
CID 107471938
2-(aminomethyl)-N-(2-chloro-4,5-dimethoxyphenyl)butanamide
CID 65225390
2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide
CID 65225620
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide
CID 107528482
methyl 4-(5-fluoro-2-methoxyanilino)-4-oxobutanoate
CID 110776545
N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 110776589
4-[2-(aminomethyl)butanoylamino]-3-fluorobenzoic acid
CID 65228530
N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide
CID 28866736
2-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide
CID 119304879
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
2-(aminomethyl)-N-(2-bromo-5-fluorophenyl)-4,4-dimethylpentanamide
CID 107625734
1-(5-fluoro-2-methoxyphenyl)-3-(2-propylsulfanylethyl)urea
CID 72885789

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide (CID 115186809) is 2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide is CCC(CN)C(=O)Nc1cc(F)ccc1OC.
What is the InChIKey of 2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide?
The InChIKey is ZHCKTLPHCJXVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-3-8(7-14)12(16)15-10-6-9(13)4-5-11(10)17-2/h4-6,8H,3,7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide?
2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide has a molecular weight of 240.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-fluoro-2-methoxyphenyl)butanamide is sourced from PubChem (CID 115186809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).