(2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol

C26H34ClNO — CID 10112331

IUPAC(2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CCC/C(=C\c2ccc(Cl)cc2)C1(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H34ClNO/c1-25(2,3)20-11-13-21(14-12-20)26(29)22(7-6-8-23(26)18-28(4)5)17-19-9-15-24(27)16-10-19/h9-17,23,29H,6-8,18H2,1-5H3/b22-17+
InChIKeyLAGCGDLNGSKTMV-OQKWZONESA-N
MW412.02 g/mol
LogP6.27
Rot. Bonds4

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

(2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol (PubChem CID 10112331) has the molecular formula C26H34ClNO and a molecular weight of 412.02 g/mol. Its IUPAC name is (2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name(2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol
PubChem CID10112331
Molecular FormulaC26H34ClNO
Molecular Weight412.02 g/mol
Exact Mass411.23
IUPAC Name(2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CCC/C(=C\c2ccc(Cl)cc2)C1(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H34ClNO/c1-25(2,3)20-11-13-21(14-12-20)26(29)22(7-6-8-23(26)18-28(4)5)17-19-9-15-24(27)16-10-19/h9-17,23,29H,6-8,18H2,1-5H3/b22-17+
InChIKeyLAGCGDLNGSKTMV-OQKWZONESA-N
XLogP6.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.02
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol
CID 24942721
(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-(4-fluoro-3-methylphenyl)cyclohexan-1-ol
CID 22643038
2-benzylidene-6-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol
CID 69338917
(2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol
CID 10290981
(2Z)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-ethenylcyclohexan-1-ol
CID 22642742
2-[(4-chlorophenyl)methylidene]-1-(cyclohexylmethyl)-6-[(dimethylamino)methyl]cyclohexan-1-ol
CID 69340184
1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]cycloheptan-1-ol
CID 69339711
2-benzylidene-6-[(dimethylamino)methyl]-1-(3-fluorophenyl)cyclohexan-1-ol
CID 69339680
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-6-[(4-methoxyphenyl)methylidene]cyclohexan-1-ol
CID 69339801
2-benzylidene-6-[(dimethylamino)methyl]-1-thiophen-2-ylcyclohexan-1-ol
CID 69339564
2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol
CID 69339698
(7E)-2-[(dimethylamino)methyl]-7-[(4-methoxyphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]cycloheptan-1-ol
CID 69339607

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of (2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol (CID 10112331) is (2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for (2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for (2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol is CN(C)CC1CCC/C(=C\c2ccc(Cl)cc2)C1(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol?
The InChIKey is LAGCGDLNGSKTMV-OQKWZONESA-N. The full InChI is InChI=1S/C26H34ClNO/c1-25(2,3)20-11-13-21(14-12-20)26(29)22(7-6-8-23(26)18-28(4)5)17-19-9-15-24(27)16-10-19/h9-17,23,29H,6-8,18H2,1-5H3/b22-17+.
What are the key properties of (2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol?
(2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol has a molecular weight of 412.02 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 10112331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).