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

C16H17NO2 — CID 61321743

IUPAC(2-methylphenyl)methyl 2-amino-6-methylbenzoate
SMILESCc1ccccc1COC(=O)c1c(C)cccc1N
InChIInChI=1S/C16H17NO2/c1-11-6-3-4-8-13(11)10-19-16(18)15-12(2)7-5-9-14(15)17/h3-9H,10,17H2,1-2H3
InChIKeyNIARAFFYMVXDPR-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.24
Rot. Bonds3

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

(2-methylphenyl)methyl 2-amino-6-methylbenzoate (PubChem CID 61321743) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2-methylphenyl)methyl 2-amino-6-methylbenzoate.

Molecular Properties

Compound Name(2-methylphenyl)methyl 2-amino-6-methylbenzoate
PubChem CID61321743
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2-methylphenyl)methyl 2-amino-6-methylbenzoate
SMILESCc1ccccc1COC(=O)c1c(C)cccc1N
InChIInChI=1S/C16H17NO2/c1-11-6-3-4-8-13(11)10-19-16(18)15-12(2)7-5-9-14(15)17/h3-9H,10,17H2,1-2H3
InChIKeyNIARAFFYMVXDPR-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

(4-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321736
pyridin-4-ylmethyl 2-amino-6-methylbenzoate
CID 61323419
(5-chlorothiophen-2-yl)methyl 2-amino-6-methylbenzoate
CID 61321921
methyl 2-amino-6-[(2-methylphenyl)methoxy]benzoate
CID 107341726
cyclopropylmethyl 2-amino-6-methylbenzoate
CID 61310985
ethane;(2-methylphenyl)methyl acetate
CID 143177732
2-propan-2-yloxyethyl 2-amino-6-methylbenzoate
CID 61308511
(2-methylphenyl)methyl 4-amino-2-chlorobenzoate
CID 61238994
(4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate
CID 114348586
2-amino-6-[(2-methylphenoxy)methyl]benzoic acid
CID 104825317
4-methylpentyl 2-amino-6-methylbenzoate
CID 63446716
cyclopentylmethyl 2-amino-6-methylbenzoate
CID 61343221

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 2-amino-6-methylbenzoate?
The IUPAC name of (2-methylphenyl)methyl 2-amino-6-methylbenzoate (CID 61321743) is (2-methylphenyl)methyl 2-amino-6-methylbenzoate.
What is the SMILES notation for (2-methylphenyl)methyl 2-amino-6-methylbenzoate?
The canonical SMILES for (2-methylphenyl)methyl 2-amino-6-methylbenzoate is Cc1ccccc1COC(=O)c1c(C)cccc1N.
What is the InChIKey of (2-methylphenyl)methyl 2-amino-6-methylbenzoate?
The InChIKey is NIARAFFYMVXDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-6-3-4-8-13(11)10-19-16(18)15-12(2)7-5-9-14(15)17/h3-9H,10,17H2,1-2H3.
What are the key properties of (2-methylphenyl)methyl 2-amino-6-methylbenzoate?
(2-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 (2-methylphenyl)methyl 2-amino-6-methylbenzoate is sourced from PubChem (CID 61321743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).