1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol

C18H28ClNO — CID 19816182

IUPAC1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol
SMILESCN(C)CCCC(O)(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C18H28ClNO/c1-20(2)14-6-13-18(21,15-7-4-3-5-8-15)16-9-11-17(19)12-10-16/h9-12,15,21H,3-8,13-14H2,1-2H3
InChIKeyOPJFMVBFPMCFTO-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.45
Rot. Bonds6

About 1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol

1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol (PubChem CID 19816182) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol
PubChem CID19816182
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol
SMILESCN(C)CCCC(O)(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C18H28ClNO/c1-20(2)14-6-13-18(21,15-7-4-3-5-8-15)16-9-11-17(19)12-10-16/h9-12,15,21H,3-8,13-14H2,1-2H3
InChIKeyOPJFMVBFPMCFTO-UHFFFAOYSA-N
XLogP4.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol (CID 19816182) is 1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol is CN(C)CCCC(O)(c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol?
The InChIKey is OPJFMVBFPMCFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-20(2)14-6-13-18(21,15-7-4-3-5-8-15)16-9-11-17(19)12-10-16/h9-12,15,21H,3-8,13-14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol?
1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol has a molecular weight of 309.88 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-cyclohexyl-4-(dimethylamino)butan-1-ol is sourced from PubChem (CID 19816182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).