ethyl 2-[1-(4-fluorophenyl)propylamino]acetate

C13H18FNO2 — CID 60811601

IUPACethyl 2-[1-(4-fluorophenyl)propylamino]acetate
SMILESCCOC(=O)CNC(CC)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-12(15-9-13(16)17-4-2)10-5-7-11(14)8-6-10/h5-8,12,15H,3-4,9H2,1-2H3
InChIKeyDAVDBJQVUUVXGF-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.43
Rot. Bonds6

About ethyl 2-[1-(4-fluorophenyl)propylamino]acetate

ethyl 2-[1-(4-fluorophenyl)propylamino]acetate (PubChem CID 60811601) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is ethyl 2-[1-(4-fluorophenyl)propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(4-fluorophenyl)propylamino]acetate
PubChem CID60811601
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Nameethyl 2-[1-(4-fluorophenyl)propylamino]acetate
SMILESCCOC(=O)CNC(CC)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-3-12(15-9-13(16)17-4-2)10-5-7-11(14)8-6-10/h5-8,12,15H,3-4,9H2,1-2H3
InChIKeyDAVDBJQVUUVXGF-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(1-phenylpropylamino)acetate
CID 60811471
ethyl 2-[1-(4-methoxyphenyl)propylamino]acetate
CID 60680894
ethyl 2-[[cyano-(4-fluorophenyl)methyl]amino]acetate
CID 112500750
ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473012
ethyl (3S)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473011
methyl 4-[1-(4-fluorophenyl)propylamino]butanoate
CID 54920511
2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide
CID 43567792
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
ethyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]propanoate
CID 81348224
2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(4-fluorophenyl)propylamino]acetate?
The IUPAC name of ethyl 2-[1-(4-fluorophenyl)propylamino]acetate (CID 60811601) is ethyl 2-[1-(4-fluorophenyl)propylamino]acetate.
What is the SMILES notation for ethyl 2-[1-(4-fluorophenyl)propylamino]acetate?
The canonical SMILES for ethyl 2-[1-(4-fluorophenyl)propylamino]acetate is CCOC(=O)CNC(CC)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[1-(4-fluorophenyl)propylamino]acetate?
The InChIKey is DAVDBJQVUUVXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-12(15-9-13(16)17-4-2)10-5-7-11(14)8-6-10/h5-8,12,15H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-[1-(4-fluorophenyl)propylamino]acetate?
ethyl 2-[1-(4-fluorophenyl)propylamino]acetate has a molecular weight of 239.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(4-fluorophenyl)propylamino]acetate is sourced from PubChem (CID 60811601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).