4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine

C17H23Cl2NO — CID 53323762

IUPAC4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine
SMILESClc1ccc(C2(CN3CCOCC3)CCCCC2)cc1Cl
InChIInChI=1S/C17H23Cl2NO/c18-15-5-4-14(12-16(15)19)17(6-2-1-3-7-17)13-20-8-10-21-11-9-20/h4-5,12H,1-3,6-11,13H2
InChIKeyYOVGBLUPSNTJCU-UHFFFAOYSA-N
MW328.28 g/mol
LogP4.53
Rot. Bonds3

About 4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine

4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine (PubChem CID 53323762) has the molecular formula C17H23Cl2NO and a molecular weight of 328.28 g/mol. Its IUPAC name is 4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine
PubChem CID53323762
Molecular FormulaC17H23Cl2NO
Molecular Weight328.28 g/mol
Exact Mass327.12
IUPAC Name4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine
SMILESClc1ccc(C2(CN3CCOCC3)CCCCC2)cc1Cl
InChIInChI=1S/C17H23Cl2NO/c18-15-5-4-14(12-16(15)19)17(6-2-1-3-7-17)13-20-8-10-21-11-9-20/h4-5,12H,1-3,6-11,13H2
InChIKeyYOVGBLUPSNTJCU-UHFFFAOYSA-N
XLogP4.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine?
The IUPAC name of 4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine (CID 53323762) is 4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine?
The canonical SMILES for 4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine is Clc1ccc(C2(CN3CCOCC3)CCCCC2)cc1Cl.
What is the InChIKey of 4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine?
The InChIKey is YOVGBLUPSNTJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO/c18-15-5-4-14(12-16(15)19)17(6-2-1-3-7-17)13-20-8-10-21-11-9-20/h4-5,12H,1-3,6-11,13H2.
What are the key properties of 4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine?
4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine has a molecular weight of 328.28 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3,4-dichlorophenyl)cyclohexyl]methyl]morpholine is sourced from PubChem (CID 53323762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).