methyl 2-amino-3-cyclohexyloxybenzoate

C14H19NO3 — CID 113333231

IUPACmethyl 2-amino-3-cyclohexyloxybenzoate
SMILESCOC(=O)c1cccc(OC2CCCCC2)c1N
InChIInChI=1S/C14H19NO3/c1-17-14(16)11-8-5-9-12(13(11)15)18-10-6-3-2-4-7-10/h5,8-10H,2-4,6-7,15H2,1H3
InChIKeyJTSYEUSZRIIMCH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.77
Rot. Bonds3

About methyl 2-amino-3-cyclohexyloxybenzoate

methyl 2-amino-3-cyclohexyloxybenzoate (PubChem CID 113333231) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-amino-3-cyclohexyloxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-cyclohexyloxybenzoate
PubChem CID113333231
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-amino-3-cyclohexyloxybenzoate
SMILESCOC(=O)c1cccc(OC2CCCCC2)c1N
InChIInChI=1S/C14H19NO3/c1-17-14(16)11-8-5-9-12(13(11)15)18-10-6-3-2-4-7-10/h5,8-10H,2-4,6-7,15H2,1H3
InChIKeyJTSYEUSZRIIMCH-UHFFFAOYSA-N
XLogP2.77
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-cyclohexyloxybenzoate
CID 11345342
methyl 2-amino-3-(cyclooctylamino)benzoate
CID 115544352
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate
CID 66781747
2-amino-3-(3-methylcyclohexyl)oxybenzamide
CID 115547097
methyl 2-amino-3-cyclopentylsulfanylbenzoate
CID 115547626
methyl 2-(4-hydroxycyclohexyl)oxybenzoate
CID 117053868
2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide
CID 114341723
methyl 2-amino-3-prop-1-en-2-yloxybenzoate
CID 147554214
(2-amino-3-cyclopropyloxyphenyl)-phenylmethanone
CID 90086550
methyl 2-amino-3-(1,2,2-trifluoroethoxy)benzoate
CID 175477452
methyl 2-(thian-4-yloxy)benzoate
CID 117053874

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-cyclohexyloxybenzoate?
The IUPAC name of methyl 2-amino-3-cyclohexyloxybenzoate (CID 113333231) is methyl 2-amino-3-cyclohexyloxybenzoate.
What is the SMILES notation for methyl 2-amino-3-cyclohexyloxybenzoate?
The canonical SMILES for methyl 2-amino-3-cyclohexyloxybenzoate is COC(=O)c1cccc(OC2CCCCC2)c1N.
What is the InChIKey of methyl 2-amino-3-cyclohexyloxybenzoate?
The InChIKey is JTSYEUSZRIIMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-14(16)11-8-5-9-12(13(11)15)18-10-6-3-2-4-7-10/h5,8-10H,2-4,6-7,15H2,1H3.
What are the key properties of methyl 2-amino-3-cyclohexyloxybenzoate?
methyl 2-amino-3-cyclohexyloxybenzoate has a molecular weight of 249.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-cyclohexyloxybenzoate is sourced from PubChem (CID 113333231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).