ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate

C13H18FNO2 — CID 55134787

IUPACethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NCCc1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-3-17-13(16)10(2)15-8-7-11-5-4-6-12(14)9-11/h4-6,9-10,15H,3,7-8H2,1-2H3
InChIKeyASCVHZOVSRBICZ-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.91
Rot. Bonds6

About ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate

ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate (PubChem CID 55134787) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate
PubChem CID55134787
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Nameethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NCCc1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-3-17-13(16)10(2)15-8-7-11-5-4-6-12(14)9-11/h4-6,9-10,15H,3,7-8H2,1-2H3
InChIKeyASCVHZOVSRBICZ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[2-(3-fluorophenyl)ethylamino]propanamide
CID 43420356
2-[2-(3-fluorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 43401436
N-(ethylcarbamoyl)-2-[2-(3-fluorophenyl)ethylamino]propanamide
CID 43401425
2-[2-(3-fluorophenyl)ethylamino]-N'-hydroxypropanimidamide
CID 77030267
methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate
CID 59596823
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide
CID 43566279
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
methyl 2-[[2-(3-fluorophenyl)ethylamino]methyl]-3-methylbutanoate
CID 115253437
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
2-[2-(3-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 43401439

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate?
The IUPAC name of ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate (CID 55134787) is ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate.
What is the SMILES notation for ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate?
The canonical SMILES for ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate is CCOC(=O)C(C)NCCc1cccc(F)c1.
What is the InChIKey of ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate?
The InChIKey is ASCVHZOVSRBICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-17-13(16)10(2)15-8-7-11-5-4-6-12(14)9-11/h4-6,9-10,15H,3,7-8H2,1-2H3.
What are the key properties of ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate?
ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate has a molecular weight of 239.29 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate is sourced from PubChem (CID 55134787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).