4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine

C22H29NO2 — CID 58648747

IUPAC4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine
SMILESc1ccc2cc(CCO[C@H]3CCCCC3N3CCOCC3)ccc2c1
InChIInChI=1S/C22H29NO2/c1-2-6-20-17-18(9-10-19(20)5-1)11-14-25-22-8-4-3-7-21(22)23-12-15-24-16-13-23/h1-2,5-6,9-10,17,21-22H,3-4,7-8,11-16H2/t21?,22-/m0/s1
InChIKeyNWPBCZNZFCURCH-KEKNWZKVSA-N
MW339.48 g/mol
LogP4.04
Rot. Bonds5

About 4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine

4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine (PubChem CID 58648747) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine
PubChem CID58648747
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine
SMILESc1ccc2cc(CCO[C@H]3CCCCC3N3CCOCC3)ccc2c1
InChIInChI=1S/C22H29NO2/c1-2-6-20-17-18(9-10-19(20)5-1)11-14-25-22-8-4-3-7-21(22)23-12-15-24-16-13-23/h1-2,5-6,9-10,17,21-22H,3-4,7-8,11-16H2/t21?,22-/m0/s1
InChIKeyNWPBCZNZFCURCH-KEKNWZKVSA-N
XLogP4.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2R)-2-(2-naphthalen-1-ylethoxy)cyclopentyl]morpholine;hydrochloride
CID 67152377
4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine
CID 58648750
4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine
CID 21045496
4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride
CID 16738247
4-[(1R,2R)-2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;hydrochloride
CID 21045498
4-[(1S,2R)-2-phenoxycyclohexyl]morpholine
CID 92857072
4-[(1S,2S)-2-[2-(4-bromophenoxy)ethoxy]cyclohexyl]morpholine
CID 16738236
1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidine
CID 16735227
1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]piperazine
CID 16737718
4-[2-[2-(1-benzothiophen-3-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(1-benzothiophen-4-yl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(2-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3-bromophenyl)ethoxy]cyclohexyl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine;1-[2-(2-naphthalen-1-ylethoxy)cyclohexyl]pyrrolidine
CID 158054197
[(2S)-2-morpholin-4-ylcyclohexyl] 2-naphthalen-1-ylacetate
CID 59981697
(3R)-1-[(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 11268116

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine?
The IUPAC name of 4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine (CID 58648747) is 4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine.
What is the SMILES notation for 4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine?
The canonical SMILES for 4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine is c1ccc2cc(CCO[C@H]3CCCCC3N3CCOCC3)ccc2c1.
What is the InChIKey of 4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine?
The InChIKey is NWPBCZNZFCURCH-KEKNWZKVSA-N. The full InChI is InChI=1S/C22H29NO2/c1-2-6-20-17-18(9-10-19(20)5-1)11-14-25-22-8-4-3-7-21(22)23-12-15-24-16-13-23/h1-2,5-6,9-10,17,21-22H,3-4,7-8,11-16H2/t21?,22-/m0/s1.
What are the key properties of 4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine?
4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine has a molecular weight of 339.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine is sourced from PubChem (CID 58648747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).