ethyl 4-(4-aminocyclohexyl)oxybenzoate

C15H21NO3 — CID 16756169

IUPACethyl 4-(4-aminocyclohexyl)oxybenzoate
SMILESCCOC(=O)c1ccc(OC2CCC(N)CC2)cc1
InChIInChI=1S/C15H21NO3/c1-2-18-15(17)11-3-7-13(8-4-11)19-14-9-5-12(16)6-10-14/h3-4,7-8,12,14H,2,5-6,9-10,16H2,1H3
InChIKeyOWNLMCSKJDHESG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.51
Rot. Bonds4

About ethyl 4-(4-aminocyclohexyl)oxybenzoate

ethyl 4-(4-aminocyclohexyl)oxybenzoate (PubChem CID 16756169) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 4-(4-aminocyclohexyl)oxybenzoate.

Molecular Properties

Compound Nameethyl 4-(4-aminocyclohexyl)oxybenzoate
PubChem CID16756169
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 4-(4-aminocyclohexyl)oxybenzoate
SMILESCCOC(=O)c1ccc(OC2CCC(N)CC2)cc1
InChIInChI=1S/C15H21NO3/c1-2-18-15(17)11-3-7-13(8-4-11)19-14-9-5-12(16)6-10-14/h3-4,7-8,12,14H,2,5-6,9-10,16H2,1H3
InChIKeyOWNLMCSKJDHESG-UHFFFAOYSA-N
XLogP2.51
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate
CID 162773529
ethyl 3,5-dicyclopropyloxybenzoate
CID 156633394
bis(4-aminocyclohexyl) benzene-1,4-dicarboxylate;propane
CID 70377044
ethyl 4-[(4-aminocyclohexyl)amino]-3-methylbenzoate
CID 130332687
4-(4-methoxyphenoxy)cyclohexan-1-amine
CID 16756065
ethyl 4-(cyclobutanecarbonyl)benzoate
CID 24724122
methyl 4-(3-aminocyclobutyl)oxybenzoate
CID 156504136
ethyl 4-aminobenzoate
CID 2337
ethyl 4-spiro[3.5]nonan-3-yloxybenzoate
CID 102950980
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 4-(3-aminocyclohexyl)benzoate;hydrochloride
CID 171338367
1-(4-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114518839

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-aminocyclohexyl)oxybenzoate?
The IUPAC name of ethyl 4-(4-aminocyclohexyl)oxybenzoate (CID 16756169) is ethyl 4-(4-aminocyclohexyl)oxybenzoate.
What is the SMILES notation for ethyl 4-(4-aminocyclohexyl)oxybenzoate?
The canonical SMILES for ethyl 4-(4-aminocyclohexyl)oxybenzoate is CCOC(=O)c1ccc(OC2CCC(N)CC2)cc1.
What is the InChIKey of ethyl 4-(4-aminocyclohexyl)oxybenzoate?
The InChIKey is OWNLMCSKJDHESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-18-15(17)11-3-7-13(8-4-11)19-14-9-5-12(16)6-10-14/h3-4,7-8,12,14H,2,5-6,9-10,16H2,1H3.
What are the key properties of ethyl 4-(4-aminocyclohexyl)oxybenzoate?
ethyl 4-(4-aminocyclohexyl)oxybenzoate has a molecular weight of 263.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-aminocyclohexyl)oxybenzoate is sourced from PubChem (CID 16756169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).