methyl 3-[2-(methylamino)ethyl]benzoate

C11H15NO2 — CID 59419935

IUPACmethyl 3-[2-(methylamino)ethyl]benzoate
SMILESCNCCc1cccc(C(=O)OC)c1
InChIInChI=1S/C11H15NO2/c1-12-7-6-9-4-3-5-10(8-9)11(13)14-2/h3-5,8,12H,6-7H2,1-2H3
InChIKeyQLWTYAUQMLYTCW-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.24
Rot. Bonds4

About methyl 3-[2-(methylamino)ethyl]benzoate

methyl 3-[2-(methylamino)ethyl]benzoate (PubChem CID 59419935) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 3-[2-(methylamino)ethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(methylamino)ethyl]benzoate
PubChem CID59419935
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 3-[2-(methylamino)ethyl]benzoate
SMILESCNCCc1cccc(C(=O)OC)c1
InChIInChI=1S/C11H15NO2/c1-12-7-6-9-4-3-5-10(8-9)11(13)14-2/h3-5,8,12H,6-7H2,1-2H3
InChIKeyQLWTYAUQMLYTCW-UHFFFAOYSA-N
XLogP1.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-propylbenzoate
CID 12861009
methyl 3-(2-aminoethyl)benzoate
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methyl 3-(4-hydroxybutyl)benzoate
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methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]benzoate
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methyl 3-[6-[3-(3-hydroxypropyl)phenyl]hexyl]benzoate
CID 10043723
methyl 3-[2-(3-aminobutanoylamino)ethyl]benzoate;hydrochloride
CID 120873897
methyl 3-(5-oxopentyl)benzoate
CID 13244315
methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate
CID 175245532
methyl 3-(aminomethyl)benzoate;molecular hydrogen
CID 144769732
CID 159558349
CID 159558349
CID 70265363
CID 70265363
methyl 3-(hydrazinylmethyl)benzoate;hydrochloride
CID 67019529

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(methylamino)ethyl]benzoate?
The IUPAC name of methyl 3-[2-(methylamino)ethyl]benzoate (CID 59419935) is methyl 3-[2-(methylamino)ethyl]benzoate.
What is the SMILES notation for methyl 3-[2-(methylamino)ethyl]benzoate?
The canonical SMILES for methyl 3-[2-(methylamino)ethyl]benzoate is CNCCc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[2-(methylamino)ethyl]benzoate?
The InChIKey is QLWTYAUQMLYTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-7-6-9-4-3-5-10(8-9)11(13)14-2/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of methyl 3-[2-(methylamino)ethyl]benzoate?
methyl 3-[2-(methylamino)ethyl]benzoate has a molecular weight of 193.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(methylamino)ethyl]benzoate is sourced from PubChem (CID 59419935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).