4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride

C18H26Cl3NO2 — CID 16738247

IUPAC4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride
SMILESCl.Clc1ccc(CCO[C@H]2CCCC[C@@H]2N2CCOCC2)c(Cl)c1
InChIInChI=1S/C18H25Cl2NO2.ClH/c19-15-6-5-14(16(20)13-15)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;1H/t17-,18-;/m0./s1
InChIKeyTVGLBQNHHGPJNG-APTPAJQOSA-N
MW394.77 g/mol
LogP4.62
Rot. Bonds5

About 4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride

4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride (PubChem CID 16738247) has the molecular formula C18H26Cl3NO2 and a molecular weight of 394.77 g/mol. Its IUPAC name is 4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride
PubChem CID16738247
Molecular FormulaC18H26Cl3NO2
Molecular Weight394.77 g/mol
Exact Mass393.10
IUPAC Name4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride
SMILESCl.Clc1ccc(CCO[C@H]2CCCC[C@@H]2N2CCOCC2)c(Cl)c1
InChIInChI=1S/C18H25Cl2NO2.ClH/c19-15-6-5-14(16(20)13-15)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;1H/t17-,18-;/m0./s1
InChIKeyTVGLBQNHHGPJNG-APTPAJQOSA-N
XLogP4.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.77
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride?
The IUPAC name of 4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride (CID 16738247) is 4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride is Cl.Clc1ccc(CCO[C@H]2CCCC[C@@H]2N2CCOCC2)c(Cl)c1.
What is the InChIKey of 4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride?
The InChIKey is TVGLBQNHHGPJNG-APTPAJQOSA-N. The full InChI is InChI=1S/C18H25Cl2NO2.ClH/c19-15-6-5-14(16(20)13-15)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;1H/t17-,18-;/m0./s1.
What are the key properties of 4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride?
4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride has a molecular weight of 394.77 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-[2-(2,4-dichlorophenyl)ethoxy]cyclohexyl]morpholine;hydrochloride is sourced from PubChem (CID 16738247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).