ethyl 4-[(2-methoxyphenyl)methylamino]benzoate

C17H19NO3 — CID 2238269

IUPACethyl 4-[(2-methoxyphenyl)methylamino]benzoate
SMILESCCOC(=O)c1ccc(NCc2ccccc2OC)cc1
InChIInChI=1S/C17H19NO3/c1-3-21-17(19)13-8-10-15(11-9-13)18-12-14-6-4-5-7-16(14)20-2/h4-11,18H,3,12H2,1-2H3
InChIKeyJVESNMFYLUOFQL-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.48
Rot. Bonds6

About ethyl 4-[(2-methoxyphenyl)methylamino]benzoate

ethyl 4-[(2-methoxyphenyl)methylamino]benzoate (PubChem CID 2238269) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 4-[(2-methoxyphenyl)methylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-methoxyphenyl)methylamino]benzoate
PubChem CID2238269
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 4-[(2-methoxyphenyl)methylamino]benzoate
SMILESCCOC(=O)c1ccc(NCc2ccccc2OC)cc1
InChIInChI=1S/C17H19NO3/c1-3-21-17(19)13-8-10-15(11-9-13)18-12-14-6-4-5-7-16(14)20-2/h4-11,18H,3,12H2,1-2H3
InChIKeyJVESNMFYLUOFQL-UHFFFAOYSA-N
XLogP3.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[6-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112860170
ethyl 4-[3-[(2-methoxyphenyl)methylamino]propanoylamino]benzoate
CID 109022233
ethyl 4-[(3-chloro-2-hydroxyphenyl)methylamino]benzoate
CID 115951048
ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027367
ethyl 3-[(2-hydroxy-3-methoxyphenyl)methylamino]benzoate
CID 51047333
2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide
CID 112982626
ethyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
CID 42082114
ethyl 4-[3-(2-methoxyanilino)propanoylamino]benzoate
CID 109039451
ethyl 4-[(2-chloro-4,5-diethoxyphenyl)methylamino]benzoate
CID 66542035
N-[(2-methoxyphenyl)methyl]-4-propylaniline
CID 29045646
ethyl 4-[[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
CID 113164614
ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
CID 46735271

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methoxyphenyl)methylamino]benzoate?
The IUPAC name of ethyl 4-[(2-methoxyphenyl)methylamino]benzoate (CID 2238269) is ethyl 4-[(2-methoxyphenyl)methylamino]benzoate.
What is the SMILES notation for ethyl 4-[(2-methoxyphenyl)methylamino]benzoate?
The canonical SMILES for ethyl 4-[(2-methoxyphenyl)methylamino]benzoate is CCOC(=O)c1ccc(NCc2ccccc2OC)cc1.
What is the InChIKey of ethyl 4-[(2-methoxyphenyl)methylamino]benzoate?
The InChIKey is JVESNMFYLUOFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-21-17(19)13-8-10-15(11-9-13)18-12-14-6-4-5-7-16(14)20-2/h4-11,18H,3,12H2,1-2H3.
What are the key properties of ethyl 4-[(2-methoxyphenyl)methylamino]benzoate?
ethyl 4-[(2-methoxyphenyl)methylamino]benzoate has a molecular weight of 285.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methoxyphenyl)methylamino]benzoate is sourced from PubChem (CID 2238269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).