(2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol

C22H26FNO — CID 10290981

IUPAC(2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol
SMILESCN(C)CC1CCC/C(=C\c2ccccc2)C1(O)c1ccc(F)cc1
InChIInChI=1S/C22H26FNO/c1-24(2)16-20-10-6-9-19(15-17-7-4-3-5-8-17)22(20,25)18-11-13-21(23)14-12-18/h3-5,7-8,11-15,20,25H,6,9-10,16H2,1-2H3/b19-15+
InChIKeyVZJBUHVIMBKPHK-XDJHFCHBSA-N
MW339.45 g/mol
LogP4.46
Rot. Bonds4

About (2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol

(2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol (PubChem CID 10290981) has the molecular formula C22H26FNO and a molecular weight of 339.45 g/mol. Its IUPAC name is (2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name(2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol
PubChem CID10290981
Molecular FormulaC22H26FNO
Molecular Weight339.45 g/mol
Exact Mass339.20
IUPAC Name(2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol
SMILESCN(C)CC1CCC/C(=C\c2ccccc2)C1(O)c1ccc(F)cc1
InChIInChI=1S/C22H26FNO/c1-24(2)16-20-10-6-9-19(15-17-7-4-3-5-8-17)22(20,25)18-11-13-21(23)14-12-18/h3-5,7-8,11-15,20,25H,6,9-10,16H2,1-2H3/b19-15+
InChIKeyVZJBUHVIMBKPHK-XDJHFCHBSA-N
XLogP4.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol?
The IUPAC name of (2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol (CID 10290981) is (2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for (2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol?
The canonical SMILES for (2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol is CN(C)CC1CCC/C(=C\c2ccccc2)C1(O)c1ccc(F)cc1.
What is the InChIKey of (2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol?
The InChIKey is VZJBUHVIMBKPHK-XDJHFCHBSA-N. The full InChI is InChI=1S/C22H26FNO/c1-24(2)16-20-10-6-9-19(15-17-7-4-3-5-8-17)22(20,25)18-11-13-21(23)14-12-18/h3-5,7-8,11-15,20,25H,6,9-10,16H2,1-2H3/b19-15+.
What are the key properties of (2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol?
(2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol has a molecular weight of 339.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-6-[(dimethylamino)methyl]-1-(4-fluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 10290981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).