ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate

C15H20FNO3 — CID 107696451

IUPACethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(F)cc1CNC1CC1
InChIInChI=1S/C15H20FNO3/c1-3-19-15(18)10(2)20-14-7-4-12(16)8-11(14)9-17-13-5-6-13/h4,7-8,10,13,17H,3,5-6,9H2,1-2H3
InChIKeyYDBSDUWXKJKWJR-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.41
Rot. Bonds7

About ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate

ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate (PubChem CID 107696451) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate
PubChem CID107696451
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nameethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(F)cc1CNC1CC1
InChIInChI=1S/C15H20FNO3/c1-3-19-15(18)10(2)20-14-7-4-12(16)8-11(14)9-17-13-5-6-13/h4,7-8,10,13,17H,3,5-6,9H2,1-2H3
InChIKeyYDBSDUWXKJKWJR-UHFFFAOYSA-N
XLogP2.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]propanoate
CID 63046063
3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
CID 107696299
2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide
CID 107696376
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide
CID 107701322
ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 64669700
2-[2-(aminomethyl)-4-fluorophenoxy]-N-cyclopentylpropanamide
CID 107694934
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 43278086
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]propanamide
CID 43279005
2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide
CID 43277371
N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide
CID 107698395
methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate
CID 107701262

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate?
The IUPAC name of ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate (CID 107696451) is ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate.
What is the SMILES notation for ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate?
The canonical SMILES for ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(F)cc1CNC1CC1.
What is the InChIKey of ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate?
The InChIKey is YDBSDUWXKJKWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-19-15(18)10(2)20-14-7-4-12(16)8-11(14)9-17-13-5-6-13/h4,7-8,10,13,17H,3,5-6,9H2,1-2H3.
What are the key properties of ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate?
ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate has a molecular weight of 281.33 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate is sourced from PubChem (CID 107696451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).