2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol

C22H27F2NO2 — CID 23105880

IUPAC2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol
SMILESCN(C)CC1CC(OCc2ccc(F)cc2)CCC1(O)c1cccc(F)c1
InChIInChI=1S/C22H27F2NO2/c1-25(2)14-18-13-21(27-15-16-6-8-19(23)9-7-16)10-11-22(18,26)17-4-3-5-20(24)12-17/h3-9,12,18,21,26H,10-11,13-15H2,1-2H3
InChIKeyIFBQAIHVSMIWRY-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.10
Rot. Bonds6

About 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol

2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol (PubChem CID 23105880) has the molecular formula C22H27F2NO2 and a molecular weight of 375.46 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol
PubChem CID23105880
Molecular FormulaC22H27F2NO2
Molecular Weight375.46 g/mol
Exact Mass375.20
IUPAC Name2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol
SMILESCN(C)CC1CC(OCc2ccc(F)cc2)CCC1(O)c1cccc(F)c1
InChIInChI=1S/C22H27F2NO2/c1-25(2)14-18-13-21(27-15-16-6-8-19(23)9-7-16)10-11-22(18,26)17-4-3-5-20(24)12-17/h3-9,12,18,21,26H,10-11,13-15H2,1-2H3
InChIKeyIFBQAIHVSMIWRY-UHFFFAOYSA-N
XLogP4.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol (CID 23105880) is 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol is CN(C)CC1CC(OCc2ccc(F)cc2)CCC1(O)c1cccc(F)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol?
The InChIKey is IFBQAIHVSMIWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2NO2/c1-25(2)14-18-13-21(27-15-16-6-8-19(23)9-7-16)10-11-22(18,26)17-4-3-5-20(24)12-17/h3-9,12,18,21,26H,10-11,13-15H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol?
2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol has a molecular weight of 375.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol is sourced from PubChem (CID 23105880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).