methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate

C12H16FNO2 — CID 60677237

IUPACmethyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
SMILESCOC(=O)C(C)NC(C)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-8(14-9(2)12(15)16-3)10-4-6-11(13)7-5-10/h4-9,14H,1-3H3
InChIKeyHLFSWEPFPKIAFR-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.04
Rot. Bonds4

About methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate

methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate (PubChem CID 60677237) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
PubChem CID60677237
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Namemethyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
SMILESCOC(=O)C(C)NC(C)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-8(14-9(2)12(15)16-3)10-4-6-11(13)7-5-10/h4-9,14H,1-3H3
InChIKeyHLFSWEPFPKIAFR-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
CID 64689516
methyl (2S)-2-[1-[4-(carbamoylamino)phenyl]ethylamino]propanoate
CID 43786771
methyl (2S)-2-[1-(4-cyanophenyl)ethylamino]propanoate
CID 43723691
methyl (2S)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propanoate
CID 83069851
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81347234
methyl 2-[1-(2-chloro-4-fluorophenyl)ethylamino]propanoate
CID 60781995
methyl (2S)-2-(4-fluoroanilino)propanoate;hydrochloride
CID 70079411
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate
CID 43225088
methyl 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 81380721
methyl (2R)-2-bromo-2-(4-fluorophenyl)acetate
CID 41166941
methyl 2-bromo-3-(4-fluorophenyl)butanoate
CID 83665504
methyl 2-(4-fluorophenyl)-3-methoxypropanoate
CID 117245338

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate?
The IUPAC name of methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate (CID 60677237) is methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate.
What is the SMILES notation for methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate?
The canonical SMILES for methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate is COC(=O)C(C)NC(C)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate?
The InChIKey is HLFSWEPFPKIAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8(14-9(2)12(15)16-3)10-4-6-11(13)7-5-10/h4-9,14H,1-3H3.
What are the key properties of methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate?
methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate has a molecular weight of 225.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate is sourced from PubChem (CID 60677237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).