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

C21H26FNO — CID 22447835

IUPAC2-[[2-(dimethylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclohexan-1-ol
SMILESCN(C)c1ccccc1CC1CCCCC1(O)c1cccc(F)c1
InChIInChI=1S/C21H26FNO/c1-23(2)20-12-4-3-8-16(20)14-17-9-5-6-13-21(17,24)18-10-7-11-19(22)15-18/h3-4,7-8,10-12,15,17,24H,5-6,9,13-14H2,1-2H3
InChIKeyFDYGPLLNUSTYCR-UHFFFAOYSA-N
MW327.44 g/mol
LogP4.51
Rot. Bonds4

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

2-[[2-(dimethylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclohexan-1-ol (PubChem CID 22447835) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-(dimethylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclohexan-1-ol
PubChem CID22447835
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name2-[[2-(dimethylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclohexan-1-ol
SMILESCN(C)c1ccccc1CC1CCCCC1(O)c1cccc(F)c1
InChIInChI=1S/C21H26FNO/c1-23(2)20-12-4-3-8-16(20)14-17-9-5-6-13-21(17,24)18-10-7-11-19(22)15-18/h3-4,7-8,10-12,15,17,24H,5-6,9,13-14H2,1-2H3
InChIKeyFDYGPLLNUSTYCR-UHFFFAOYSA-N
XLogP4.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclohexan-1-ol?
The IUPAC name of 2-[[2-(dimethylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclohexan-1-ol (CID 22447835) is 2-[[2-(dimethylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-(dimethylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 2-[[2-(dimethylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclohexan-1-ol is CN(C)c1ccccc1CC1CCCCC1(O)c1cccc(F)c1.
What is the InChIKey of 2-[[2-(dimethylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclohexan-1-ol?
The InChIKey is FDYGPLLNUSTYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c1-23(2)20-12-4-3-8-16(20)14-17-9-5-6-13-21(17,24)18-10-7-11-19(22)15-18/h3-4,7-8,10-12,15,17,24H,5-6,9,13-14H2,1-2H3.
What are the key properties of 2-[[2-(dimethylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclohexan-1-ol?
2-[[2-(dimethylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclohexan-1-ol has a molecular weight of 327.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 22447835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).