cyclohexyl 2-(methylamino)benzoate

C14H19NO2 — CID 61278808

IUPACcyclohexyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OC1CCCCC1
InChIInChI=1S/C14H19NO2/c1-15-13-10-6-5-9-12(13)14(16)17-11-7-3-2-4-8-11/h5-6,9-11,15H,2-4,7-8H2,1H3
InChIKeyNGPWMEVONYUXKY-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.22
Rot. Bonds3

About cyclohexyl 2-(methylamino)benzoate

cyclohexyl 2-(methylamino)benzoate (PubChem CID 61278808) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is cyclohexyl 2-(methylamino)benzoate.

Molecular Properties

Compound Namecyclohexyl 2-(methylamino)benzoate
PubChem CID61278808
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namecyclohexyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OC1CCCCC1
InChIInChI=1S/C14H19NO2/c1-15-13-10-6-5-9-12(13)14(16)17-11-7-3-2-4-8-11/h5-6,9-11,15H,2-4,7-8H2,1H3
InChIKeyNGPWMEVONYUXKY-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl 2-(methylamino)benzoate
CID 61278607
cyclobutyl 2-(methylamino)benzoate
CID 62217404
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
(3,5-dimethylcyclohexyl) 2-(methylamino)benzoate
CID 64731834
dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
CID 67920128
cyclohexyl 2-aminobenzoate
CID 24510
cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate
CID 172922980
cyclohexanol;cyclohexyl 2-hydroxybenzoate;methyl 2-hydroxybenzoate
CID 158563155
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551
1-O-cyclohexyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
CID 6423695
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
cyclopentyl 2-aminobenzoate;hydrochloride
CID 138987389

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(methylamino)benzoate?
The IUPAC name of cyclohexyl 2-(methylamino)benzoate (CID 61278808) is cyclohexyl 2-(methylamino)benzoate.
What is the SMILES notation for cyclohexyl 2-(methylamino)benzoate?
The canonical SMILES for cyclohexyl 2-(methylamino)benzoate is CNc1ccccc1C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(methylamino)benzoate?
The InChIKey is NGPWMEVONYUXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-13-10-6-5-9-12(13)14(16)17-11-7-3-2-4-8-11/h5-6,9-11,15H,2-4,7-8H2,1H3.
What are the key properties of cyclohexyl 2-(methylamino)benzoate?
cyclohexyl 2-(methylamino)benzoate has a molecular weight of 233.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(methylamino)benzoate is sourced from PubChem (CID 61278808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).