methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate

C15H21NO3 — CID 112579722

IUPACmethyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate
SMILESCOC(=O)c1cccc(N)c1OC1CCCC(C)C1
InChIInChI=1S/C15H21NO3/c1-10-5-3-6-11(9-10)19-14-12(15(17)18-2)7-4-8-13(14)16/h4,7-8,10-11H,3,5-6,9,16H2,1-2H3
InChIKeyLETSGKIXYAMXRC-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.01
Rot. Bonds3

About methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate

methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate (PubChem CID 112579722) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate.

Molecular Properties

Compound Namemethyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate
PubChem CID112579722
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate
SMILESCOC(=O)c1cccc(N)c1OC1CCCC(C)C1
InChIInChI=1S/C15H21NO3/c1-10-5-3-6-11(9-10)19-14-12(15(17)18-2)7-4-8-13(14)16/h4,7-8,10-11H,3,5-6,9,16H2,1-2H3
InChIKeyLETSGKIXYAMXRC-UHFFFAOYSA-N
XLogP3.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate 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

3-amino-2-cyclopentyloxybenzamide
CID 112579558
5-(3-methylcyclohexyl)oxynaphthalen-1-amine
CID 82037851
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
2-amino-3-(3-methylcyclohexyl)oxybenzamide
CID 115547097
methyl 3-amino-2-(2-ethylcyclohexyl)oxybenzoate
CID 115935649
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
(3-methylcyclohexyl) 2-amino-3-bromobenzoate
CID 55225158
ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate
CID 115935772
methyl 3-amino-2-[(2,6-dimethylpiperidin-1-yl)amino]benzoate
CID 115935474
3-amino-2-[(3-methylcyclohexyl)methoxy]benzoic acid
CID 114197231
methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate
CID 66781747
methyl 2-[(4-methylcycloheptyl)amino]benzoate
CID 65081177

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate?
The IUPAC name of methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate (CID 112579722) is methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate.
What is the SMILES notation for methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate?
The canonical SMILES for methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate is COC(=O)c1cccc(N)c1OC1CCCC(C)C1.
What is the InChIKey of methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate?
The InChIKey is LETSGKIXYAMXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-5-3-6-11(9-10)19-14-12(15(17)18-2)7-4-8-13(14)16/h4,7-8,10-11H,3,5-6,9,16H2,1-2H3.
What are the key properties of methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate?
methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate has a molecular weight of 263.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate is sourced from PubChem (CID 112579722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).