methyl 4-(benzylamino)-2-methoxybenzoate

C16H17NO3 — CID 23068026

IUPACmethyl 4-(benzylamino)-2-methoxybenzoate
SMILESCOC(=O)c1ccc(NCc2ccccc2)cc1OC
InChIInChI=1S/C16H17NO3/c1-19-15-10-13(8-9-14(15)16(18)20-2)17-11-12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3
InChIKeyNILKTIFEQLCXLL-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.09
Rot. Bonds5

About methyl 4-(benzylamino)-2-methoxybenzoate

methyl 4-(benzylamino)-2-methoxybenzoate (PubChem CID 23068026) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 4-(benzylamino)-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(benzylamino)-2-methoxybenzoate
PubChem CID23068026
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl 4-(benzylamino)-2-methoxybenzoate
SMILESCOC(=O)c1ccc(NCc2ccccc2)cc1OC
InChIInChI=1S/C16H17NO3/c1-19-15-10-13(8-9-14(15)16(18)20-2)17-11-12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3
InChIKeyNILKTIFEQLCXLL-UHFFFAOYSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 68579259
methyl 2-methoxy-4-(2-methylpropylamino)benzoate
CID 83295320
methyl 4-(benzylsulfamoyl)-2-methoxybenzoate
CID 66601229
4-(benzylamino)-2-methoxybenzaldehyde
CID 54461880
N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
methyl 2-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272147
methyl 2-[(4-bromo-3-methoxyanilino)methyl]benzoate
CID 82859884
methyl 4-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272146
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide
CID 112981913
2-fluoro-4-[(4-fluoro-3-methoxyanilino)methyl]benzoic acid
CID 106700567
methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
CID 2032115

Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzylamino)-2-methoxybenzoate?
The IUPAC name of methyl 4-(benzylamino)-2-methoxybenzoate (CID 23068026) is methyl 4-(benzylamino)-2-methoxybenzoate.
What is the SMILES notation for methyl 4-(benzylamino)-2-methoxybenzoate?
The canonical SMILES for methyl 4-(benzylamino)-2-methoxybenzoate is COC(=O)c1ccc(NCc2ccccc2)cc1OC.
What is the InChIKey of methyl 4-(benzylamino)-2-methoxybenzoate?
The InChIKey is NILKTIFEQLCXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-15-10-13(8-9-14(15)16(18)20-2)17-11-12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3.
What are the key properties of methyl 4-(benzylamino)-2-methoxybenzoate?
methyl 4-(benzylamino)-2-methoxybenzoate has a molecular weight of 271.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(benzylamino)-2-methoxybenzoate is sourced from PubChem (CID 23068026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).