2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride

C20H32ClNO2 — CID 139662067

IUPAC2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride
SMILESCN1CCOC(COc2ccccc2CCC2CCCCC2)C1.Cl
InChIInChI=1S/C20H31NO2.ClH/c1-21-13-14-22-19(15-21)16-23-20-10-6-5-9-18(20)12-11-17-7-3-2-4-8-17;/h5-6,9-10,17,19H,2-4,7-8,11-16H2,1H3;1H
InChIKeyFVAXRBDKZJEHKY-UHFFFAOYSA-N
MW353.93 g/mol
LogP4.33
Rot. Bonds6

About 2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride

2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride (PubChem CID 139662067) has the molecular formula C20H32ClNO2 and a molecular weight of 353.93 g/mol. Its IUPAC name is 2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride
PubChem CID139662067
Molecular FormulaC20H32ClNO2
Molecular Weight353.93 g/mol
Exact Mass353.21
IUPAC Name2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride
SMILESCN1CCOC(COc2ccccc2CCC2CCCCC2)C1.Cl
InChIInChI=1S/C20H31NO2.ClH/c1-21-13-14-22-19(15-21)16-23-20-10-6-5-9-18(20)12-11-17-7-3-2-4-8-17;/h5-6,9-10,17,19H,2-4,7-8,11-16H2,1H3;1H
InChIKeyFVAXRBDKZJEHKY-UHFFFAOYSA-N
XLogP4.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.93
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride?
The IUPAC name of 2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride (CID 139662067) is 2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride.
What is the SMILES notation for 2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride?
The canonical SMILES for 2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride is CN1CCOC(COc2ccccc2CCC2CCCCC2)C1.Cl.
What is the InChIKey of 2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride?
The InChIKey is FVAXRBDKZJEHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2.ClH/c1-21-13-14-22-19(15-21)16-23-20-10-6-5-9-18(20)12-11-17-7-3-2-4-8-17;/h5-6,9-10,17,19H,2-4,7-8,11-16H2,1H3;1H.
What are the key properties of 2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride?
2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride has a molecular weight of 353.93 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyclohexylethyl)phenoxy]methyl]-4-methylmorpholine;hydrochloride is sourced from PubChem (CID 139662067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).