2-[(4-methoxyphenyl)methylamino]benzoate

C15H14NO3- — CID 3280708

IUPAC2-[(4-methoxyphenyl)methylamino]benzoate
SMILESCOc1ccc(CNc2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C15H15NO3/c1-19-12-8-6-11(7-9-12)10-16-14-5-3-2-4-13(14)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)/p-1
InChIKeyZXKZQGYJUYYZAD-UHFFFAOYSA-M
MW256.28 g/mol
LogP1.67
Rot. Bonds5

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

2-[(4-methoxyphenyl)methylamino]benzoate (PubChem CID 3280708) has the molecular formula C15H14NO3- and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]benzoate.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]benzoate
PubChem CID3280708
Molecular FormulaC15H14NO3-
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-[(4-methoxyphenyl)methylamino]benzoate
SMILESCOc1ccc(CNc2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C15H15NO3/c1-19-12-8-6-11(7-9-12)10-16-14-5-3-2-4-13(14)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)/p-1
InChIKeyZXKZQGYJUYYZAD-UHFFFAOYSA-M
XLogP1.67
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyridin-4-ylmethylamino)benzoate
CID 3280709
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate
CID 4176095
2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7308684
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
4-[(2-methoxycarbonylanilino)methyl]benzoic acid
CID 65348011
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
(Z)-2-[2-[(4-methoxyphenyl)methylamino]phenyl]pent-2-enimidamide
CID 145043426
N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide
CID 16577157
methyl 2-[[6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112872987
1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea
CID 10268959
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]benzoate?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]benzoate (CID 3280708) is 2-[(4-methoxyphenyl)methylamino]benzoate.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]benzoate?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]benzoate is COc1ccc(CNc2ccccc2C(=O)[O-])cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]benzoate?
The InChIKey is ZXKZQGYJUYYZAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15NO3/c1-19-12-8-6-11(7-9-12)10-16-14-5-3-2-4-13(14)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)/p-1.
What are the key properties of 2-[(4-methoxyphenyl)methylamino]benzoate?
2-[(4-methoxyphenyl)methylamino]benzoate has a molecular weight of 256.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]benzoate is sourced from PubChem (CID 3280708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).