4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine

C20H31NO4 — CID 10473026

IUPAC4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine
SMILESCOc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCOCC2)cc1OC
InChIInChI=1S/C20H31NO4/c1-22-19-8-7-16(15-20(19)23-2)9-12-25-18-6-4-3-5-17(18)21-10-13-24-14-11-21/h7-8,15,17-18H,3-6,9-14H2,1-2H3/t17-,18-/m1/s1
InChIKeyZKUXTPCNUUMSRX-QZTJIDSGSA-N
MW349.47 g/mol
LogP2.91
Rot. Bonds7

About 4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine

4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine (PubChem CID 10473026) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is 4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine
PubChem CID10473026
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Name4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine
SMILESCOc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCOCC2)cc1OC
InChIInChI=1S/C20H31NO4/c1-22-19-8-7-16(15-20(19)23-2)9-12-25-18-6-4-3-5-17(18)21-10-13-24-14-11-21/h7-8,15,17-18H,3-6,9-14H2,1-2H3/t17-,18-/m1/s1
InChIKeyZKUXTPCNUUMSRX-QZTJIDSGSA-N
XLogP2.91
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine?
The IUPAC name of 4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine (CID 10473026) is 4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine.
What is the SMILES notation for 4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine?
The canonical SMILES for 4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine is COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCOCC2)cc1OC.
What is the InChIKey of 4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine?
The InChIKey is ZKUXTPCNUUMSRX-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H31NO4/c1-22-19-8-7-16(15-20(19)23-2)9-12-25-18-6-4-3-5-17(18)21-10-13-24-14-11-21/h7-8,15,17-18H,3-6,9-14H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of 4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine?
4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine has a molecular weight of 349.47 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]morpholine is sourced from PubChem (CID 10473026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).