2-(4-cyclohexylphenoxy)ethylazanium

C14H22NO+ — CID 7273660

IUPAC2-(4-cyclohexylphenoxy)ethylazanium
SMILES[NH3+]CCOc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H21NO/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11,15H2/p+1
InChIKeyCRQJNXLEVBZGRP-UHFFFAOYSA-O
MW220.34 g/mol
LogP2.36
Rot. Bonds4

About 2-(4-cyclohexylphenoxy)ethylazanium

2-(4-cyclohexylphenoxy)ethylazanium (PubChem CID 7273660) has the molecular formula C14H22NO+ and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)ethylazanium.

Molecular Properties

Compound Name2-(4-cyclohexylphenoxy)ethylazanium
PubChem CID7273660
Molecular FormulaC14H22NO+
Molecular Weight220.34 g/mol
Exact Mass220.17
IUPAC Name2-(4-cyclohexylphenoxy)ethylazanium
SMILES[NH3+]CCOc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H21NO/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11,15H2/p+1
InChIKeyCRQJNXLEVBZGRP-UHFFFAOYSA-O
XLogP2.36
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-cyclohexylphenoxy)ethanamine
CID 542015
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
1-cyclohexyl-4-heptoxybenzene
CID 56628106
1-(chloromethoxy)-4-cyclohexylbenzene
CID 166607753
4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid
CID 22682606
1-cyclohexyl-4-(methoxymethoxy)benzene
CID 143461597
2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane
CID 152663687
2-(4-cyclopentylphenoxy)acetic acid
CID 23274257
4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857059
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753
1-bromo-3-(4-propoxyphenyl)cycloheptane
CID 64507843
(4-cyclohexylphenyl) 4-decoxybenzoate
CID 70557879

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)ethylazanium?
The IUPAC name of 2-(4-cyclohexylphenoxy)ethylazanium (CID 7273660) is 2-(4-cyclohexylphenoxy)ethylazanium.
What is the SMILES notation for 2-(4-cyclohexylphenoxy)ethylazanium?
The canonical SMILES for 2-(4-cyclohexylphenoxy)ethylazanium is [NH3+]CCOc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-(4-cyclohexylphenoxy)ethylazanium?
The InChIKey is CRQJNXLEVBZGRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21NO/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11,15H2/p+1.
What are the key properties of 2-(4-cyclohexylphenoxy)ethylazanium?
2-(4-cyclohexylphenoxy)ethylazanium has a molecular weight of 220.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenoxy)ethylazanium is sourced from PubChem (CID 7273660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).