methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate

C14H21NO2 — CID 60648146

IUPACmethyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate
SMILESCCc1ccc(CN(C)CCC(=O)OC)cc1
InChIInChI=1S/C14H21NO2/c1-4-12-5-7-13(8-6-12)11-15(2)10-9-14(16)17-3/h5-8H,4,9-11H2,1-3H3
InChIKeyQELJCVOHRHYHNH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.24
Rot. Bonds6

About methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate

methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate (PubChem CID 60648146) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate
PubChem CID60648146
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate
SMILESCCc1ccc(CN(C)CCC(=O)OC)cc1
InChIInChI=1S/C14H21NO2/c1-4-12-5-7-13(8-6-12)11-15(2)10-9-14(16)17-3/h5-8H,4,9-11H2,1-3H3
InChIKeyQELJCVOHRHYHNH-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78983733
methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
CID 37215555
methyl 4-[2-(4-ethylphenyl)ethyl-methylamino]butanoate
CID 115233508
methyl 4-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]benzoate
CID 62013375
methyl 4-[(4-bromophenyl)methyl-methylamino]butanoate
CID 61415832
methyl 4-[(4-aminophenyl)methyl-methylamino]butanoate
CID 43458294
methyl 3-[(5-ethylthiophen-2-yl)methyl-methylamino]propanoate
CID 62010884
methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012653
5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one
CID 115236560
methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate
CID 115232427
methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate
CID 110008646

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate?
The IUPAC name of methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate (CID 60648146) is methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate is CCc1ccc(CN(C)CCC(=O)OC)cc1.
What is the InChIKey of methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate?
The InChIKey is QELJCVOHRHYHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-12-5-7-13(8-6-12)11-15(2)10-9-14(16)17-3/h5-8H,4,9-11H2,1-3H3.
What are the key properties of methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate?
methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate has a molecular weight of 235.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate is sourced from PubChem (CID 60648146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).