2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol

C23H34ClNO — CID 69340184

IUPAC2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CCCC(=Cc2ccc(Cl)cc2)C1(O)CC1CCCCC1
InChIInChI=1S/C23H34ClNO/c1-25(2)17-21-10-6-9-20(15-18-11-13-22(24)14-12-18)23(21,26)16-19-7-4-3-5-8-19/h11-15,19,21,26H,3-10,16-17H2,1-2H3
InChIKeyCJMRGAUVLVCRFP-UHFFFAOYSA-N
MW375.98 g/mol
LogP5.79
Rot. Bonds5

About 2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol

2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol (PubChem CID 69340184) has the molecular formula C23H34ClNO and a molecular weight of 375.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol
PubChem CID69340184
Molecular FormulaC23H34ClNO
Molecular Weight375.98 g/mol
Exact Mass375.23
IUPAC Name2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CCCC(=Cc2ccc(Cl)cc2)C1(O)CC1CCCCC1
InChIInChI=1S/C23H34ClNO/c1-25(2)17-21-10-6-9-20(15-18-11-13-22(24)14-12-18)23(21,26)16-19-7-4-3-5-8-19/h11-15,19,21,26H,3-10,16-17H2,1-2H3
InChIKeyCJMRGAUVLVCRFP-UHFFFAOYSA-N
XLogP5.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.98
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol (CID 69340184) is 2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol is CN(C)CC1CCCC(=Cc2ccc(Cl)cc2)C1(O)CC1CCCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol?
The InChIKey is CJMRGAUVLVCRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClNO/c1-25(2)17-21-10-6-9-20(15-18-11-13-22(24)14-12-18)23(21,26)16-19-7-4-3-5-8-19/h11-15,19,21,26H,3-10,16-17H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol?
2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol has a molecular weight of 375.98 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 69340184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).