(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate

C16H17NO3 — CID 60730510

IUPAC(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate
SMILESCOc1ccc(C)cc1COC(=O)c1ccccc1N
InChIInChI=1S/C16H17NO3/c1-11-7-8-15(19-2)12(9-11)10-20-16(18)13-5-3-4-6-14(13)17/h3-9H,10,17H2,1-2H3
InChIKeyVXGDXOIOOMZGOQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.94
Rot. Bonds4

About (2-methoxy-5-methylphenyl)methyl 2-aminobenzoate

(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate (PubChem CID 60730510) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl 2-aminobenzoate.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate
PubChem CID60730510
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate
SMILESCOc1ccc(C)cc1COC(=O)c1ccccc1N
InChIInChI=1S/C16H17NO3/c1-11-7-8-15(19-2)12(9-11)10-20-16(18)13-5-3-4-6-14(13)17/h3-9H,10,17H2,1-2H3
InChIKeyVXGDXOIOOMZGOQ-UHFFFAOYSA-N
XLogP2.94
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate
CID 63450676
(2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 8867472
(2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate
CID 8954351
(2-methoxy-5-methylphenyl)methyl 4-aminobenzoate
CID 60730788
(2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate
CID 18169991
(2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate
CID 18197147
(2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate
CID 62162231
(2-methoxy-5-methylphenyl)methyl 4-amino-3-chlorobenzoate
CID 78996965
(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7603582
(2-bromo-5-methoxyphenyl)methyl 2-aminobenzoate
CID 65326650
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl 2-aminobenzoate?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl 2-aminobenzoate (CID 60730510) is (2-methoxy-5-methylphenyl)methyl 2-aminobenzoate.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl 2-aminobenzoate?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl 2-aminobenzoate is COc1ccc(C)cc1COC(=O)c1ccccc1N.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl 2-aminobenzoate?
The InChIKey is VXGDXOIOOMZGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-7-8-15(19-2)12(9-11)10-20-16(18)13-5-3-4-6-14(13)17/h3-9H,10,17H2,1-2H3.
What are the key properties of (2-methoxy-5-methylphenyl)methyl 2-aminobenzoate?
(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate has a molecular weight of 271.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl 2-aminobenzoate is sourced from PubChem (CID 60730510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).