2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride

C18H28ClNO — CID 3066069

IUPAC2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride
SMILESCN1CCOC(C)(c2ccc(C3CCCCC3)cc2)C1.Cl
InChIInChI=1S/C18H27NO.ClH/c1-18(14-19(2)12-13-20-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15;/h8-11,15H,3-7,12-14H2,1-2H3;1H
InChIKeyJMJPFTJTQUOUCJ-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.33
Rot. Bonds2

About 2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride

2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride (PubChem CID 3066069) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride
PubChem CID3066069
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride
SMILESCN1CCOC(C)(c2ccc(C3CCCCC3)cc2)C1.Cl
InChIInChI=1S/C18H27NO.ClH/c1-18(14-19(2)12-13-20-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15;/h8-11,15H,3-7,12-14H2,1-2H3;1H
InChIKeyJMJPFTJTQUOUCJ-UHFFFAOYSA-N
XLogP4.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride?
The IUPAC name of 2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride (CID 3066069) is 2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride?
The canonical SMILES for 2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride is CN1CCOC(C)(c2ccc(C3CCCCC3)cc2)C1.Cl.
What is the InChIKey of 2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride?
The InChIKey is JMJPFTJTQUOUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO.ClH/c1-18(14-19(2)12-13-20-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15;/h8-11,15H,3-7,12-14H2,1-2H3;1H.
What are the key properties of 2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride?
2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride has a molecular weight of 309.88 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-2,4-dimethylmorpholine;hydrochloride is sourced from PubChem (CID 3066069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).