amino 2-(2,3-dimethylphenyl)benzoate

C15H15NO2 — CID 174645238

IUPACamino 2-(2,3-dimethylphenyl)benzoate
SMILESCc1cccc(-c2ccccc2C(=O)ON)c1C
InChIInChI=1S/C15H15NO2/c1-10-6-5-9-12(11(10)2)13-7-3-4-8-14(13)15(17)18-16/h3-9H,16H2,1-2H3
InChIKeyLAPYPYFZLNYHCF-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.00
Rot. Bonds2

About amino 2-(2,3-dimethylphenyl)benzoate

amino 2-(2,3-dimethylphenyl)benzoate (PubChem CID 174645238) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is amino 2-(2,3-dimethylphenyl)benzoate.

Molecular Properties

Compound Nameamino 2-(2,3-dimethylphenyl)benzoate
PubChem CID174645238
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Nameamino 2-(2,3-dimethylphenyl)benzoate
SMILESCc1cccc(-c2ccccc2C(=O)ON)c1C
InChIInChI=1S/C15H15NO2/c1-10-6-5-9-12(11(10)2)13-7-3-4-8-14(13)15(17)18-16/h3-9H,16H2,1-2H3
InChIKeyLAPYPYFZLNYHCF-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino 2-(2,3-dimethylphenyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

amino 2-bromo-3-methylbenzoate
CID 174814289
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
amino 2-hydroxybenzoate
CID 12598418
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
aminomethyl 2,3-dimethylbenzoate
CID 66871801
(2,3-dimethylphenyl)methyl 2-hydroxybenzoate
CID 175168721
fluoro 2,3-dimethylbenzoate
CID 174427719
benzyl 2-(2-ethoxycarbonylphenyl)-6-methylbenzoate
CID 170993079
amino 2,3-diaminobenzoate
CID 66872276
2,3-dimethylbenzamide;ethane
CID 143389789
3-oxopropyl 2,3-dimethylbenzoate
CID 174643723
5-bromo-2-(2,3-dimethylphenyl)benzoic acid
CID 114032340

Frequently Asked Questions

What is the IUPAC name of amino 2-(2,3-dimethylphenyl)benzoate?
The IUPAC name of amino 2-(2,3-dimethylphenyl)benzoate (CID 174645238) is amino 2-(2,3-dimethylphenyl)benzoate.
What is the SMILES notation for amino 2-(2,3-dimethylphenyl)benzoate?
The canonical SMILES for amino 2-(2,3-dimethylphenyl)benzoate is Cc1cccc(-c2ccccc2C(=O)ON)c1C.
What is the InChIKey of amino 2-(2,3-dimethylphenyl)benzoate?
The InChIKey is LAPYPYFZLNYHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-6-5-9-12(11(10)2)13-7-3-4-8-14(13)15(17)18-16/h3-9H,16H2,1-2H3.
What are the key properties of amino 2-(2,3-dimethylphenyl)benzoate?
amino 2-(2,3-dimethylphenyl)benzoate has a molecular weight of 241.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-(2,3-dimethylphenyl)benzoate is sourced from PubChem (CID 174645238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).