1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol

C22H27F2NO — CID 22236689

IUPAC1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol
SMILESCN(C)c1ccccc1CC1CCCCC1(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C22H27F2NO/c1-25(2)21-9-4-3-7-17(21)14-18-8-5-6-12-22(18,26)15-16-10-11-19(23)20(24)13-16/h3-4,7,9-11,13,18,26H,5-6,8,12,14-15H2,1-2H3
InChIKeyMYRAQYSBHVVRHY-UHFFFAOYSA-N
MW359.46 g/mol
LogP4.74
Rot. Bonds5

About 1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol

1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol (PubChem CID 22236689) has the molecular formula C22H27F2NO and a molecular weight of 359.46 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol
PubChem CID22236689
Molecular FormulaC22H27F2NO
Molecular Weight359.46 g/mol
Exact Mass359.21
IUPAC Name1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol
SMILESCN(C)c1ccccc1CC1CCCCC1(O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C22H27F2NO/c1-25(2)21-9-4-3-7-17(21)14-18-8-5-6-12-22(18,26)15-16-10-11-19(23)20(24)13-16/h3-4,7,9-11,13,18,26H,5-6,8,12,14-15H2,1-2H3
InChIKeyMYRAQYSBHVVRHY-UHFFFAOYSA-N
XLogP4.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol (CID 22236689) is 1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol is CN(C)c1ccccc1CC1CCCCC1(O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol?
The InChIKey is MYRAQYSBHVVRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2NO/c1-25(2)21-9-4-3-7-17(21)14-18-8-5-6-12-22(18,26)15-16-10-11-19(23)20(24)13-16/h3-4,7,9-11,13,18,26H,5-6,8,12,14-15H2,1-2H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol?
1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol has a molecular weight of 359.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 22236689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).