4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine

C21H33NO4 — CID 58648750

IUPAC4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine
SMILESCOc1ccc(CCCO[C@H]2CCCCC2N2CCOCC2)cc1OC
InChIInChI=1S/C21H33NO4/c1-23-20-10-9-17(16-21(20)24-2)6-5-13-26-19-8-4-3-7-18(19)22-11-14-25-15-12-22/h9-10,16,18-19H,3-8,11-15H2,1-2H3/t18?,19-/m0/s1
InChIKeyFNCANBLHFUSJFD-GGYWPGCISA-N
MW363.50 g/mol
LogP3.30
Rot. Bonds8

About 4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine

4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine (PubChem CID 58648750) has the molecular formula C21H33NO4 and a molecular weight of 363.50 g/mol. Its IUPAC name is 4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine
PubChem CID58648750
Molecular FormulaC21H33NO4
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC Name4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine
SMILESCOc1ccc(CCCO[C@H]2CCCCC2N2CCOCC2)cc1OC
InChIInChI=1S/C21H33NO4/c1-23-20-10-9-17(16-21(20)24-2)6-5-13-26-19-8-4-3-7-18(19)22-11-14-25-15-12-22/h9-10,16,18-19H,3-8,11-15H2,1-2H3/t18?,19-/m0/s1
InChIKeyFNCANBLHFUSJFD-GGYWPGCISA-N
XLogP3.30
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
(1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2-morpholin-4-ylcyclohexan-1-amine
CID 58952610
(1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2-morpholin-4-ylcyclohexan-1-amine;hydrochloride
CID 161264046
N-[3-(3,4-dimethoxyphenyl)propyl]-2-morpholin-4-ylcyclohexan-1-amine;hydrochloride
CID 134137504
(3R)-1-[(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 11268116
(3R)-1-[(1R,2S)-2-[2-[3,4-di((113C)methoxy)phenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 11639643
1-[(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 59679744
(3R)-1-[(1S,2S)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;hydrochloride
CID 11773573
4-[(2S)-2-(2-naphthalen-2-ylethoxy)cyclohexyl]morpholine
CID 58648747
1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dihydropyrrol-3-ol
CID 143139701
[1-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-yl] acetate
CID 66877779

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine?
The IUPAC name of 4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine (CID 58648750) is 4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine.
What is the SMILES notation for 4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine?
The canonical SMILES for 4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine is COc1ccc(CCCO[C@H]2CCCCC2N2CCOCC2)cc1OC.
What is the InChIKey of 4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine?
The InChIKey is FNCANBLHFUSJFD-GGYWPGCISA-N. The full InChI is InChI=1S/C21H33NO4/c1-23-20-10-9-17(16-21(20)24-2)6-5-13-26-19-8-4-3-7-18(19)22-11-14-25-15-12-22/h9-10,16,18-19H,3-8,11-15H2,1-2H3/t18?,19-/m0/s1.
What are the key properties of 4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine?
4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine has a molecular weight of 363.50 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[3-(3,4-dimethoxyphenyl)propoxy]cyclohexyl]morpholine is sourced from PubChem (CID 58648750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).