methyl 2-amino-4-methyl-5-phenylbenzoate

C15H15NO2 — CID 113445321

IUPACmethyl 2-amino-4-methyl-5-phenylbenzoate
SMILESCOC(=O)c1cc(-c2ccccc2)c(C)cc1N
InChIInChI=1S/C15H15NO2/c1-10-8-14(16)13(15(17)18-2)9-12(10)11-6-4-3-5-7-11/h3-9H,16H2,1-2H3
InChIKeyWTLGHEKVENKKQG-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.03
Rot. Bonds2

About methyl 2-amino-4-methyl-5-phenylbenzoate

methyl 2-amino-4-methyl-5-phenylbenzoate (PubChem CID 113445321) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 2-amino-4-methyl-5-phenylbenzoate.

Molecular Properties

Compound Namemethyl 2-amino-4-methyl-5-phenylbenzoate
PubChem CID113445321
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-amino-4-methyl-5-phenylbenzoate
SMILESCOC(=O)c1cc(-c2ccccc2)c(C)cc1N
InChIInChI=1S/C15H15NO2/c1-10-8-14(16)13(15(17)18-2)9-12(10)11-6-4-3-5-7-11/h3-9H,16H2,1-2H3
InChIKeyWTLGHEKVENKKQG-UHFFFAOYSA-N
XLogP3.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.03
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

methyl 2-amino-4-phenylbenzoate
CID 53412316
methyl 4-amino-2-phenylbenzoate
CID 15406988
2-amino-5-phenylbenzoic acid;methyl 2-amino-5-phenylbenzoate
CID 159000318
dimethyl 3-amino-4,5-diphenylbenzene-1,2-dicarboxylate
CID 11581299
methyl 5-(3-aminophenyl)-2-fluoro-4-methylbenzoate
CID 171905843
ethyl 2-amino-5-(4-bromophenyl)-4-methylbenzoate
CID 102741992
methyl 2-amino-4-(3-chloro-4-fluorophenyl)-5-methylbenzoate
CID 164541567
methyl 2-amino-9,9-difluorofluorene-3-carboxylate
CID 164562157
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
methyl 5-formyl-4-methyl-2-phenylbenzoate
CID 174407984
propan-2-yl 2-amino-5-(4-bromophenyl)-4-methylbenzoate
CID 102741996
methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-methyl-5-phenylbenzoate?
The IUPAC name of methyl 2-amino-4-methyl-5-phenylbenzoate (CID 113445321) is methyl 2-amino-4-methyl-5-phenylbenzoate.
What is the SMILES notation for methyl 2-amino-4-methyl-5-phenylbenzoate?
The canonical SMILES for methyl 2-amino-4-methyl-5-phenylbenzoate is COC(=O)c1cc(-c2ccccc2)c(C)cc1N.
What is the InChIKey of methyl 2-amino-4-methyl-5-phenylbenzoate?
The InChIKey is WTLGHEKVENKKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-8-14(16)13(15(17)18-2)9-12(10)11-6-4-3-5-7-11/h3-9H,16H2,1-2H3.
What are the key properties of methyl 2-amino-4-methyl-5-phenylbenzoate?
methyl 2-amino-4-methyl-5-phenylbenzoate has a molecular weight of 241.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-methyl-5-phenylbenzoate is sourced from PubChem (CID 113445321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).