3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide

C13H19FN2O — CID 114254689

IUPAC3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1cccc(C)c1F
InChIInChI=1S/C13H19FN2O/c1-3-10(8-15)7-12(17)16-11-6-4-5-9(2)13(11)14/h4-6,10H,3,7-8,15H2,1-2H3,(H,16,17)
InChIKeyMQYSZDCCUUBQEO-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.45
Rot. Bonds5

About 3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide

3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide (PubChem CID 114254689) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide
PubChem CID114254689
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1cccc(C)c1F
InChIInChI=1S/C13H19FN2O/c1-3-10(8-15)7-12(17)16-11-6-4-5-9(2)13(11)14/h4-6,10H,3,7-8,15H2,1-2H3,(H,16,17)
InChIKeyMQYSZDCCUUBQEO-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide
CID 81080185
3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81071261
3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide
CID 81070791
2-[3-(aminomethyl)pentanoylamino]-6-chlorobenzoic acid
CID 81079723
3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide
CID 81070527
3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989
3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide
CID 81070368
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
N-(2-aminophenyl)-3-ethylpentanamide
CID 119422237
3-(aminomethyl)-N-(2,5-dimethylpyrrol-1-yl)pentanamide
CID 81080558
3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 81070893
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide
CID 81079486

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide (CID 114254689) is 3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide is CCC(CN)CC(=O)Nc1cccc(C)c1F.
What is the InChIKey of 3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide?
The InChIKey is MQYSZDCCUUBQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-10(8-15)7-12(17)16-11-6-4-5-9(2)13(11)14/h4-6,10H,3,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide?
3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide has a molecular weight of 238.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide is sourced from PubChem (CID 114254689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).