N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide

C15H23FN2O2 — CID 107695175

IUPACN-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(F)cc1CNC
InChIInChI=1S/C15H23FN2O2/c1-4-5-8-18-15(19)11(2)20-14-7-6-13(16)9-12(14)10-17-3/h6-7,9,11,17H,4-5,8,10H2,1-3H3,(H,18,19)
InChIKeyQBRROUXZTPGFLX-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.23
Rot. Bonds8

About N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide

N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide (PubChem CID 107695175) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide
PubChem CID107695175
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(F)cc1CNC
InChIInChI=1S/C15H23FN2O2/c1-4-5-8-18-15(19)11(2)20-14-7-6-13(16)9-12(14)10-17-3/h6-7,9,11,17H,4-5,8,10H2,1-3H3,(H,18,19)
InChIKeyQBRROUXZTPGFLX-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
CID 95973725
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502
2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107695387
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 107695888
2-(2-bromo-5-fluorophenoxy)-N-pentylpropanamide
CID 81495069
2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431551
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119434380
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
N-butyl-2-(4-cyano-2-fluorophenoxy)propanamide
CID 103792212
2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide
CID 63322427
2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide
CID 115679511
N-ethyl-2-[4-methoxy-2-(methylaminomethyl)phenoxy]propanamide
CID 43276266

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide?
The IUPAC name of N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide (CID 107695175) is N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide.
What is the SMILES notation for N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide?
The canonical SMILES for N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide is CCCCNC(=O)C(C)Oc1ccc(F)cc1CNC.
What is the InChIKey of N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide?
The InChIKey is QBRROUXZTPGFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-5-8-18-15(19)11(2)20-14-7-6-13(16)9-12(14)10-17-3/h6-7,9,11,17H,4-5,8,10H2,1-3H3,(H,18,19).
What are the key properties of N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide?
N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide has a molecular weight of 282.36 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide is sourced from PubChem (CID 107695175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).