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

C13H19NO3 — CID 90953243

IUPACethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate
SMILESCCOC(=O)c1cccc(CCNC)c1OC
InChIInChI=1S/C13H19NO3/c1-4-17-13(15)11-7-5-6-10(8-9-14-2)12(11)16-3/h5-7,14H,4,8-9H2,1-3H3
InChIKeyAYUKEWUPWJMIEY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.63
Rot. Bonds6

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

ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate (PubChem CID 90953243) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate.

Molecular Properties

Compound Nameethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate
PubChem CID90953243
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate
SMILESCCOC(=O)c1cccc(CCNC)c1OC
InChIInChI=1S/C13H19NO3/c1-4-17-13(15)11-7-5-6-10(8-9-14-2)12(11)16-3/h5-7,14H,4,8-9H2,1-3H3
InChIKeyAYUKEWUPWJMIEY-UHFFFAOYSA-N
XLogP1.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate
CID 164678824
ethyl 5-[2-(naphthalene-1-carbonylamino)ethyl]naphthalene-1-carboxylate
CID 123438234
3-[3-ethoxycarbonyl-2-(trifluoromethoxy)phenyl]propanoic acid
CID 134640979
ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate
CID 90720155
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
2-methylpropyl 2-[2-(methylamino)ethyl]benzoate
CID 104548518
ethyl 3-[(3-chlorophenyl)sulfanylmethyl]-2-methoxybenzoate
CID 174818968
heptyl 2-[2-(methylamino)ethyl]benzoate
CID 104548525
ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate
CID 25022566
methyl 3-(chloromethyl)-2-methoxybenzoate
CID 22615935
ethyl 2-amino-3-propylbenzoate
CID 60835647
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203453

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate?
The IUPAC name of ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate (CID 90953243) is ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate.
What is the SMILES notation for ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate?
The canonical SMILES for ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate is CCOC(=O)c1cccc(CCNC)c1OC.
What is the InChIKey of ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate?
The InChIKey is AYUKEWUPWJMIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-17-13(15)11-7-5-6-10(8-9-14-2)12(11)16-3/h5-7,14H,4,8-9H2,1-3H3.
What are the key properties of ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate?
ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate has a molecular weight of 237.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate is sourced from PubChem (CID 90953243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).