4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride

C18H28ClNO — CID 3038715

IUPAC4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride
SMILESCl.c1ccc(C2(CCN3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C18H27NO.ClH/c1-3-7-17(8-4-1)18(9-5-2-6-10-18)11-12-19-13-15-20-16-14-19;/h1,3-4,7-8H,2,5-6,9-16H2;1H
InChIKeyXFMORXHYRIBXCC-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.03
Rot. Bonds4

About 4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride

4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride (PubChem CID 3038715) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride
PubChem CID3038715
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride
SMILESCl.c1ccc(C2(CCN3CCOCC3)CCCCC2)cc1
InChIInChI=1S/C18H27NO.ClH/c1-3-7-17(8-4-1)18(9-5-2-6-10-18)11-12-19-13-15-20-16-14-19;/h1,3-4,7-8H,2,5-6,9-16H2;1H
InChIKeyXFMORXHYRIBXCC-UHFFFAOYSA-N
XLogP4.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Fenpropimorph
CID 93365
Amorolfine
CID 54260
Trifenmorph
CID 14993
4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine
CID 91695
3-Hexanone, 4,4-diphenyl-6-morpholino-
CID 44686
Amorolfine hydrochloride
CID 54259
4-(2,2-Diphenylethyl)morpholine
CID 240345
4-(3-Phenylpropyl)morpholine
CID 782728
4-(3-Phenylbutyl)morpholine
CID 2845822
Diphemethoxidine
CID 65607
(S)-cis-fenpropimorph
CID 11833620
Morpholine, 4-(2-phenylethyl)-
CID 411956

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride (CID 3038715) is 4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride is Cl.c1ccc(C2(CCN3CCOCC3)CCCCC2)cc1.
What is the InChIKey of 4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride?
The InChIKey is XFMORXHYRIBXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO.ClH/c1-3-7-17(8-4-1)18(9-5-2-6-10-18)11-12-19-13-15-20-16-14-19;/h1,3-4,7-8H,2,5-6,9-16H2;1H.
What are the key properties of 4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride?
4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride has a molecular weight of 309.88 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-phenylcyclohexyl)ethyl]morpholine;hydrochloride is sourced from PubChem (CID 3038715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).