4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine

C23H37NO2 — CID 18948834

IUPAC4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCC(Cc1cccc(OCC2CCCCC2)c1)CN1CC(C)OC(C)C1
InChIInChI=1S/C23H37NO2/c1-18(14-24-15-19(2)26-20(3)16-24)12-22-10-7-11-23(13-22)25-17-21-8-5-4-6-9-21/h7,10-11,13,18-21H,4-6,8-9,12,14-17H2,1-3H3
InChIKeyVTIYILKQBQIOKF-UHFFFAOYSA-N
MW359.55 g/mol
LogP4.93
Rot. Bonds7

About 4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine

4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine (PubChem CID 18948834) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is 4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
PubChem CID18948834
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCC(Cc1cccc(OCC2CCCCC2)c1)CN1CC(C)OC(C)C1
InChIInChI=1S/C23H37NO2/c1-18(14-24-15-19(2)26-20(3)16-24)12-22-10-7-11-23(13-22)25-17-21-8-5-4-6-9-21/h7,10-11,13,18-21H,4-6,8-9,12,14-17H2,1-3H3
InChIKeyVTIYILKQBQIOKF-UHFFFAOYSA-N
XLogP4.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2S)-2-methylbutyl]phenoxy]methylcycloheptane
CID 126609950
4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
CID 20502162
1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459309
2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine
CID 14553897
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
(2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol
CID 69097479
1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459310
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
3-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-1-ol
CID 135168970
3-(cyclohexylmethoxy)-N-propan-2-ylaniline
CID 68752296
tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane
CID 18948836
1-[[3-(cyclohexylmethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125440

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine (CID 18948834) is 4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine is CC(Cc1cccc(OCC2CCCCC2)c1)CN1CC(C)OC(C)C1.
What is the InChIKey of 4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine?
The InChIKey is VTIYILKQBQIOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO2/c1-18(14-24-15-19(2)26-20(3)16-24)12-22-10-7-11-23(13-22)25-17-21-8-5-4-6-9-21/h7,10-11,13,18-21H,4-6,8-9,12,14-17H2,1-3H3.
What are the key properties of 4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine?
4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine has a molecular weight of 359.55 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(cyclohexylmethoxy)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 18948834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).