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

C18H25Cl2NO2 — CID 10406083

IUPAC4-[(1R,2R)-2-[2-(3,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine
SMILESClc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCOCC2)cc1Cl
InChIInChI=1S/C18H25Cl2NO2/c19-15-6-5-14(13-16(15)20)7-10-23-18-4-2-1-3-17(18)21-8-11-22-12-9-21/h5-6,13,17-18H,1-4,7-12H2/t17-,18-/m1/s1
InChIKeyXYNMOULGJNGXPD-QZTJIDSGSA-N
MW358.31 g/mol
LogP4.20
Rot. Bonds5

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

4-[(1R,2R)-2-[2-(3,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine (PubChem CID 10406083) has the molecular formula C18H25Cl2NO2 and a molecular weight of 358.31 g/mol. Its IUPAC name is 4-[(1R,2R)-2-[2-(3,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[(1R,2R)-2-[2-(3,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine
PubChem CID10406083
Molecular FormulaC18H25Cl2NO2
Molecular Weight358.31 g/mol
Exact Mass357.13
IUPAC Name4-[(1R,2R)-2-[2-(3,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine
SMILESClc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCOCC2)cc1Cl
InChIInChI=1S/C18H25Cl2NO2/c19-15-6-5-14(13-16(15)20)7-10-23-18-4-2-1-3-17(18)21-8-11-22-12-9-21/h5-6,13,17-18H,1-4,7-12H2/t17-,18-/m1/s1
InChIKeyXYNMOULGJNGXPD-QZTJIDSGSA-N
XLogP4.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-[2-(3,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine?
The IUPAC name of 4-[(1R,2R)-2-[2-(3,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine (CID 10406083) is 4-[(1R,2R)-2-[2-(3,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine.
What is the SMILES notation for 4-[(1R,2R)-2-[2-(3,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine?
The canonical SMILES for 4-[(1R,2R)-2-[2-(3,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine is Clc1ccc(CCO[C@@H]2CCCC[C@H]2N2CCOCC2)cc1Cl.
What is the InChIKey of 4-[(1R,2R)-2-[2-(3,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine?
The InChIKey is XYNMOULGJNGXPD-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H25Cl2NO2/c19-15-6-5-14(13-16(15)20)7-10-23-18-4-2-1-3-17(18)21-8-11-22-12-9-21/h5-6,13,17-18H,1-4,7-12H2/t17-,18-/m1/s1.
What are the key properties of 4-[(1R,2R)-2-[2-(3,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine?
4-[(1R,2R)-2-[2-(3,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine has a molecular weight of 358.31 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-[2-(3,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine is sourced from PubChem (CID 10406083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).