(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate

C16H16ClNO3 — CID 63450676

IUPAC(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate
SMILESCOc1ccc(C)cc1COC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C16H16ClNO3/c1-10-3-6-15(20-2)11(7-10)9-21-16(19)13-8-12(17)4-5-14(13)18/h3-8H,9,18H2,1-2H3
InChIKeyNYDGMXXUSTWQKO-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.60
Rot. Bonds4

About (2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate

(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate (PubChem CID 63450676) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate
PubChem CID63450676
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate
SMILESCOc1ccc(C)cc1COC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C16H16ClNO3/c1-10-3-6-15(20-2)11(7-10)9-21-16(19)13-8-12(17)4-5-14(13)18/h3-8H,9,18H2,1-2H3
InChIKeyNYDGMXXUSTWQKO-UHFFFAOYSA-N
XLogP3.60
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.60
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

(5-bromo-2-methoxyphenyl)methyl 2-amino-5-chlorobenzoate
CID 63450456
(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate
CID 60730510
(2-methoxy-5-methylphenyl)methyl 4-amino-3-chlorobenzoate
CID 78996965
1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 64915978
(3,5-dimethylphenyl)methyl 2-amino-5-chlorobenzoate
CID 60644529
(2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate
CID 8954351
(2-methoxy-5-methylphenyl)methyl 4-aminobenzoate
CID 60730788
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid
CID 60711590
(2-methoxy-5-methylphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125525
(2-methoxy-5-methylphenyl)methyl 4-amino-5-methylthiophene-2-carboxylate
CID 62162231
(2-methoxy-5-methylphenyl)methyl 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 7628172
(5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate
CID 2602816

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate (CID 63450676) is (2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate is COc1ccc(C)cc1COC(=O)c1cc(Cl)ccc1N.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate?
The InChIKey is NYDGMXXUSTWQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-3-6-15(20-2)11(7-10)9-21-16(19)13-8-12(17)4-5-14(13)18/h3-8H,9,18H2,1-2H3.
What are the key properties of (2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate?
(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate has a molecular weight of 305.76 g/mol, XLogP of 3.60, 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-amino-5-chlorobenzoate is sourced from PubChem (CID 63450676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).