4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol

C23H30FNO — CID 10111078

IUPAC4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol
SMILESCN(C)C1(Cc2ccccc2)CCC(O)(CCc2cccc(F)c2)CC1
InChIInChI=1S/C23H30FNO/c1-25(2)22(18-20-7-4-3-5-8-20)13-15-23(26,16-14-22)12-11-19-9-6-10-21(24)17-19/h3-10,17,26H,11-16,18H2,1-2H3
InChIKeyLIDIVDQKVAMPMK-UHFFFAOYSA-N
MW355.50 g/mol
LogP4.61
Rot. Bonds6

About 4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol

4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol (PubChem CID 10111078) has the molecular formula C23H30FNO and a molecular weight of 355.50 g/mol. Its IUPAC name is 4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol
PubChem CID10111078
Molecular FormulaC23H30FNO
Molecular Weight355.50 g/mol
Exact Mass355.23
IUPAC Name4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol
SMILESCN(C)C1(Cc2ccccc2)CCC(O)(CCc2cccc(F)c2)CC1
InChIInChI=1S/C23H30FNO/c1-25(2)22(18-20-7-4-3-5-8-20)13-15-23(26,16-14-22)12-11-19-9-6-10-21(24)17-19/h3-10,17,26H,11-16,18H2,1-2H3
InChIKeyLIDIVDQKVAMPMK-UHFFFAOYSA-N
XLogP4.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]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 4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol (CID 10111078) is 4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol is CN(C)C1(Cc2ccccc2)CCC(O)(CCc2cccc(F)c2)CC1.
What is the InChIKey of 4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol?
The InChIKey is LIDIVDQKVAMPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO/c1-25(2)22(18-20-7-4-3-5-8-20)13-15-23(26,16-14-22)12-11-19-9-6-10-21(24)17-19/h3-10,17,26H,11-16,18H2,1-2H3.
What are the key properties of 4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol?
4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol has a molecular weight of 355.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-4-(dimethylamino)-1-[2-(3-fluorophenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 10111078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).