2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide

C15H21FN2O2 — CID 107665579

IUPAC2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide
SMILESCC(Oc1ccc(CN)cc1F)C(=O)NC1CCCC1
InChIInChI=1S/C15H21FN2O2/c1-10(15(19)18-12-4-2-3-5-12)20-14-7-6-11(9-17)8-13(14)16/h6-8,10,12H,2-5,9,17H2,1H3,(H,18,19)
InChIKeyMPCQZRYYDVBHJS-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.11
Rot. Bonds5

About 2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide

2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide (PubChem CID 107665579) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide
PubChem CID107665579
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide
SMILESCC(Oc1ccc(CN)cc1F)C(=O)NC1CCCC1
InChIInChI=1S/C15H21FN2O2/c1-10(15(19)18-12-4-2-3-5-12)20-14-7-6-11(9-17)8-13(14)16/h6-8,10,12H,2-5,9,17H2,1H3,(H,18,19)
InChIKeyMPCQZRYYDVBHJS-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-4-fluorophenoxy]-N-cyclopentylpropanamide
CID 107694934
N-cyclopentyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689480
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 107665393
N-cyclohexyl-2-(2-fluoro-4-formylphenoxy)propanamide
CID 107689513
2-[4-(aminomethyl)-2-fluorophenoxy]propanamide
CID 107665477
2-(2-amino-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 62367828
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667346
2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-cyclopentylpropanamide
CID 60905070
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667306
N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide
CID 107698395
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide
CID 60905187
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide (CID 107665579) is 2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide is CC(Oc1ccc(CN)cc1F)C(=O)NC1CCCC1.
What is the InChIKey of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide?
The InChIKey is MPCQZRYYDVBHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10(15(19)18-12-4-2-3-5-12)20-14-7-6-11(9-17)8-13(14)16/h6-8,10,12H,2-5,9,17H2,1H3,(H,18,19).
What are the key properties of 2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide?
2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide has a molecular weight of 280.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide is sourced from PubChem (CID 107665579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).