(4-methylcyclohexyl) 2-aminobenzoate

C14H19NO2 — CID 543969

IUPAC(4-methylcyclohexyl) 2-aminobenzoate
SMILESCC1CCC(OC(=O)c2ccccc2N)CC1
InChIInChI=1S/C14H19NO2/c1-10-6-8-11(9-7-10)17-14(16)12-4-2-3-5-13(12)15/h2-5,10-11H,6-9,15H2,1H3
InChIKeyOUJCGMWEBUSDIW-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.00
Rot. Bonds2

About (4-methylcyclohexyl) 2-aminobenzoate

(4-methylcyclohexyl) 2-aminobenzoate (PubChem CID 543969) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4-methylcyclohexyl) 2-aminobenzoate.

Molecular Properties

Compound Name(4-methylcyclohexyl) 2-aminobenzoate
PubChem CID543969
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4-methylcyclohexyl) 2-aminobenzoate
SMILESCC1CCC(OC(=O)c2ccccc2N)CC1
InChIInChI=1S/C14H19NO2/c1-10-6-8-11(9-7-10)17-14(16)12-4-2-3-5-13(12)15/h2-5,10-11H,6-9,15H2,1H3
InChIKeyOUJCGMWEBUSDIW-UHFFFAOYSA-N
XLogP3.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.00
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

cyclohexyl 2-aminobenzoate
CID 24510
cyclopentyl 2-aminobenzoate;hydrochloride
CID 138987389
(4-methylcyclohexyl) 2-amino-5-chlorobenzoate
CID 63446664
(4-methylcyclohexyl) 2-amino-6-chlorobenzoate
CID 63662016
(5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate
CID 8633
(4-methylcyclohexyl) 4-amino-3-methylbenzoate
CID 61277831
(2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
CID 119945352
(4-ethylcyclohexyl) 3-amino-2-methylbenzoate
CID 64774862
(4-methylcyclohexyl) 3,5-diaminobenzoate
CID 61309628
cycloheptyl 3-amino-2-hydroxybenzoate
CID 113386635
(4-methylcyclohexyl) 3-amino-4-fluorobenzoate
CID 61276815
(1-methylpiperidin-4-yl) 3-amino-2-hydroxybenzoate
CID 113386626

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl) 2-aminobenzoate?
The IUPAC name of (4-methylcyclohexyl) 2-aminobenzoate (CID 543969) is (4-methylcyclohexyl) 2-aminobenzoate.
What is the SMILES notation for (4-methylcyclohexyl) 2-aminobenzoate?
The canonical SMILES for (4-methylcyclohexyl) 2-aminobenzoate is CC1CCC(OC(=O)c2ccccc2N)CC1.
What is the InChIKey of (4-methylcyclohexyl) 2-aminobenzoate?
The InChIKey is OUJCGMWEBUSDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-6-8-11(9-7-10)17-14(16)12-4-2-3-5-13(12)15/h2-5,10-11H,6-9,15H2,1H3.
What are the key properties of (4-methylcyclohexyl) 2-aminobenzoate?
(4-methylcyclohexyl) 2-aminobenzoate has a molecular weight of 233.31 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 (4-methylcyclohexyl) 2-aminobenzoate is sourced from PubChem (CID 543969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).