N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide

C15H21FN2O2 — CID 63953098

IUPACN-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide
SMILESNCc1cc(NC(=O)CCC2CCCCO2)ccc1F
InChIInChI=1S/C15H21FN2O2/c16-14-6-4-12(9-11(14)10-17)18-15(19)7-5-13-3-1-2-8-20-13/h4,6,9,13H,1-3,5,7-8,10,17H2,(H,18,19)
InChIKeyPWTFAWHOZCDLFP-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.57
Rot. Bonds5

About N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide

N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide (PubChem CID 63953098) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide
PubChem CID63953098
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide
SMILESNCc1cc(NC(=O)CCC2CCCCO2)ccc1F
InChIInChI=1S/C15H21FN2O2/c16-14-6-4-12(9-11(14)10-17)18-15(19)7-5-13-3-1-2-8-20-13/h4,6,9,13H,1-3,5,7-8,10,17H2,(H,18,19)
InChIKeyPWTFAWHOZCDLFP-UHFFFAOYSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-sulfamoylphenyl)-3-(oxolan-2-yl)propanamide
CID 65155549
N-(4-bromo-3-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 103824581
N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63953371
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
2-bromo-5-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 115295879
N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 63936119
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide
CID 55605507
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
3-amino-4-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 63952709
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide (CID 63953098) is N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide is NCc1cc(NC(=O)CCC2CCCCO2)ccc1F.
What is the InChIKey of N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide?
The InChIKey is PWTFAWHOZCDLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-14-6-4-12(9-11(14)10-17)18-15(19)7-5-13-3-1-2-8-20-13/h4,6,9,13H,1-3,5,7-8,10,17H2,(H,18,19).
What are the key properties of N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide?
N-[3-(aminomethyl)-4-fluorophenyl]-3-(oxan-2-yl)propanamide has a molecular weight of 280.34 g/mol, XLogP of 2.57, 5 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]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 63953098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).