ethyl 3-[4-(methylaminomethyl)phenyl]propanoate

C13H19NO2 — CID 164606778

IUPACethyl 3-[4-(methylaminomethyl)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(CNC)cc1
InChIInChI=1S/C13H19NO2/c1-3-16-13(15)9-8-11-4-6-12(7-5-11)10-14-2/h4-7,14H,3,8-10H2,1-2H3
InChIKeyFEEXPPGZZVISSM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.90
Rot. Bonds6

About ethyl 3-[4-(methylaminomethyl)phenyl]propanoate

ethyl 3-[4-(methylaminomethyl)phenyl]propanoate (PubChem CID 164606778) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethyl 3-[4-(methylaminomethyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(methylaminomethyl)phenyl]propanoate
PubChem CID164606778
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Nameethyl 3-[4-(methylaminomethyl)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(CNC)cc1
InChIInChI=1S/C13H19NO2/c1-3-16-13(15)9-8-11-4-6-12(7-5-11)10-14-2/h4-7,14H,3,8-10H2,1-2H3
InChIKeyFEEXPPGZZVISSM-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(methylaminomethyl)phenyl]propanoate?
The IUPAC name of ethyl 3-[4-(methylaminomethyl)phenyl]propanoate (CID 164606778) is ethyl 3-[4-(methylaminomethyl)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-(methylaminomethyl)phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-(methylaminomethyl)phenyl]propanoate is CCOC(=O)CCc1ccc(CNC)cc1.
What is the InChIKey of ethyl 3-[4-(methylaminomethyl)phenyl]propanoate?
The InChIKey is FEEXPPGZZVISSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-13(15)9-8-11-4-6-12(7-5-11)10-14-2/h4-7,14H,3,8-10H2,1-2H3.
What are the key properties of ethyl 3-[4-(methylaminomethyl)phenyl]propanoate?
ethyl 3-[4-(methylaminomethyl)phenyl]propanoate has a molecular weight of 221.30 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(methylaminomethyl)phenyl]propanoate is sourced from PubChem (CID 164606778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).