ethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate

C13H18FNO2 — CID 19884924

IUPACethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate
SMILESCCOC(=O)CC(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C13H18FNO2/c1-4-17-13(16)9-12(15(2)3)10-5-7-11(14)8-6-10/h5-8,12H,4,9H2,1-3H3
InChIKeyMRTBDFYYOYCBLQ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.38
Rot. Bonds5

About ethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate

ethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate (PubChem CID 19884924) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate
PubChem CID19884924
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Nameethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate
SMILESCCOC(=O)CC(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C13H18FNO2/c1-4-17-13(16)9-12(15(2)3)10-5-7-11(14)8-6-10/h5-8,12H,4,9H2,1-3H3
InChIKeyMRTBDFYYOYCBLQ-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate?
The IUPAC name of ethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate (CID 19884924) is ethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate.
What is the SMILES notation for ethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate?
The canonical SMILES for ethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate is CCOC(=O)CC(c1ccc(F)cc1)N(C)C.
What is the InChIKey of ethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate?
The InChIKey is MRTBDFYYOYCBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-17-13(16)9-12(15(2)3)10-5-7-11(14)8-6-10/h5-8,12H,4,9H2,1-3H3.
What are the key properties of ethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate?
ethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate has a molecular weight of 239.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 19884924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).