N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide

C13H19FN2O2 — CID 113382054

IUPACN-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide
SMILESCOC(C)CCC(=O)Nc1ccc(F)c(CN)c1
InChIInChI=1S/C13H19FN2O2/c1-9(18-2)3-6-13(17)16-11-4-5-12(14)10(7-11)8-15/h4-5,7,9H,3,6,8,15H2,1-2H3,(H,16,17)
InChIKeyQNVYVCWZXKKKPV-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.04
Rot. Bonds6

About N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide

N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide (PubChem CID 113382054) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide
PubChem CID113382054
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide
SMILESCOC(C)CCC(=O)Nc1ccc(F)c(CN)c1
InChIInChI=1S/C13H19FN2O2/c1-9(18-2)3-6-13(17)16-11-4-5-12(14)10(7-11)8-15/h4-5,7,9H,3,6,8,15H2,1-2H3,(H,16,17)
InChIKeyQNVYVCWZXKKKPV-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea
CID 79154504
2-methoxy-4-(4-methoxypentanoylamino)benzoic acid
CID 107208767
N-[3-(aminomethyl)-4-fluorophenyl]-2-(2,5-dimethylphenyl)acetamide
CID 62537171
N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide
CID 113375207
5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690828
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
N-[3-(aminomethyl)-4-fluorophenyl]-2,2-dimethylbutanamide
CID 62677434
N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide
CID 63953098
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022
1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea
CID 62316078
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide?
The IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide (CID 113382054) is N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide?
The canonical SMILES for N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide is COC(C)CCC(=O)Nc1ccc(F)c(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide?
The InChIKey is QNVYVCWZXKKKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(18-2)3-6-13(17)16-11-4-5-12(14)10(7-11)8-15/h4-5,7,9H,3,6,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide?
N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide has a molecular weight of 254.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide is sourced from PubChem (CID 113382054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).