3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide

C13H17FN2O2 — CID 107696299

IUPAC3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
SMILESNC(=O)CCOc1ccc(F)cc1CNC1CC1
InChIInChI=1S/C13H17FN2O2/c14-10-1-4-12(18-6-5-13(15)17)9(7-10)8-16-11-2-3-11/h1,4,7,11,16H,2-3,5-6,8H2,(H2,15,17)
InChIKeyKETHIQRQMGDVBH-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.33
Rot. Bonds7

About 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide

3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide (PubChem CID 107696299) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
PubChem CID107696299
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
SMILESNC(=O)CCOc1ccc(F)cc1CNC1CC1
InChIInChI=1S/C13H17FN2O2/c14-10-1-4-12(18-6-5-13(15)17)9(7-10)8-16-11-2-3-11/h1,4,7,11,16H,2-3,5-6,8H2,(H2,15,17)
InChIKeyKETHIQRQMGDVBH-UHFFFAOYSA-N
XLogP1.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide
CID 107696376
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107696269
tert-butyl N-[2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]ethyl]carbamate
CID 170985629
3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide
CID 107695803
5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile
CID 107696379
3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626106
ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate
CID 107696451
4-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 107696474
N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine
CID 107696406
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359
N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696420

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide?
The IUPAC name of 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide (CID 107696299) is 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide.
What is the SMILES notation for 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide?
The canonical SMILES for 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide is NC(=O)CCOc1ccc(F)cc1CNC1CC1.
What is the InChIKey of 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide?
The InChIKey is KETHIQRQMGDVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-10-1-4-12(18-6-5-13(15)17)9(7-10)8-16-11-2-3-11/h1,4,7,11,16H,2-3,5-6,8H2,(H2,15,17).
What are the key properties of 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide?
3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide has a molecular weight of 252.29 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide is sourced from PubChem (CID 107696299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).