(4-methylphenyl)methyl 2-amino-6-methylbenzoate

C16H17NO2 — CID 61321736

IUPAC(4-methylphenyl)methyl 2-amino-6-methylbenzoate
SMILESCc1ccc(COC(=O)c2c(C)cccc2N)cc1
InChIInChI=1S/C16H17NO2/c1-11-6-8-13(9-7-11)10-19-16(18)15-12(2)4-3-5-14(15)17/h3-9H,10,17H2,1-2H3
InChIKeyMSIPDCJKALQZIR-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.24
Rot. Bonds3

About (4-methylphenyl)methyl 2-amino-6-methylbenzoate

(4-methylphenyl)methyl 2-amino-6-methylbenzoate (PubChem CID 61321736) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (4-methylphenyl)methyl 2-amino-6-methylbenzoate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 2-amino-6-methylbenzoate
PubChem CID61321736
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(4-methylphenyl)methyl 2-amino-6-methylbenzoate
SMILESCc1ccc(COC(=O)c2c(C)cccc2N)cc1
InChIInChI=1S/C16H17NO2/c1-11-6-8-13(9-7-11)10-19-16(18)15-12(2)4-3-5-14(15)17/h3-9H,10,17H2,1-2H3
InChIKeyMSIPDCJKALQZIR-UHFFFAOYSA-N
XLogP3.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pyridin-4-ylmethyl 2-amino-6-methylbenzoate
CID 61323419
(2-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321743
(4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840399
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
(4-ethylphenyl)methyl 2-amino-6-chlorobenzoate
CID 63663287
cyclopentylmethyl 2-amino-6-methylbenzoate
CID 61343221
(5-chlorothiophen-2-yl)methyl 2-amino-6-methylbenzoate
CID 61321921
cyclopropylmethyl 2-amino-6-methylbenzoate
CID 61310985
2-propan-2-yloxyethyl 2-amino-6-methylbenzoate
CID 61308511
4-methylpentyl 2-amino-6-methylbenzoate
CID 63446716
ethyl 2,6-dimethylbenzoate
CID 520807
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methylbenzoate
CID 61320786

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 2-amino-6-methylbenzoate?
The IUPAC name of (4-methylphenyl)methyl 2-amino-6-methylbenzoate (CID 61321736) is (4-methylphenyl)methyl 2-amino-6-methylbenzoate.
What is the SMILES notation for (4-methylphenyl)methyl 2-amino-6-methylbenzoate?
The canonical SMILES for (4-methylphenyl)methyl 2-amino-6-methylbenzoate is Cc1ccc(COC(=O)c2c(C)cccc2N)cc1.
What is the InChIKey of (4-methylphenyl)methyl 2-amino-6-methylbenzoate?
The InChIKey is MSIPDCJKALQZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-6-8-13(9-7-11)10-19-16(18)15-12(2)4-3-5-14(15)17/h3-9H,10,17H2,1-2H3.
What are the key properties of (4-methylphenyl)methyl 2-amino-6-methylbenzoate?
(4-methylphenyl)methyl 2-amino-6-methylbenzoate has a molecular weight of 255.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 2-amino-6-methylbenzoate is sourced from PubChem (CID 61321736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).