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

C23H29F2NO — CID 69134527

IUPAC3-[(dimethylamino)methyl]-4-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CC(O)CCC1(Cc1ccc(F)cc1)Cc1cccc(F)c1
InChIInChI=1S/C23H29F2NO/c1-26(2)16-19-13-22(27)10-11-23(19,14-17-6-8-20(24)9-7-17)15-18-4-3-5-21(25)12-18/h3-9,12,19,22,27H,10-11,13-16H2,1-2H3
InChIKeyXYESJSYZLQVSDM-UHFFFAOYSA-N
MW373.49 g/mol
LogP4.46
Rot. Bonds6

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

3-[(dimethylamino)methyl]-4-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 69134527) has the molecular formula C23H29F2NO and a molecular weight of 373.49 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-4-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-4-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol
PubChem CID69134527
Molecular FormulaC23H29F2NO
Molecular Weight373.49 g/mol
Exact Mass373.22
IUPAC Name3-[(dimethylamino)methyl]-4-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CC(O)CCC1(Cc1ccc(F)cc1)Cc1cccc(F)c1
InChIInChI=1S/C23H29F2NO/c1-26(2)16-19-13-22(27)10-11-23(19,14-17-6-8-20(24)9-7-17)15-18-4-3-5-21(25)12-18/h3-9,12,19,22,27H,10-11,13-16H2,1-2H3
InChIKeyXYESJSYZLQVSDM-UHFFFAOYSA-N
XLogP4.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol
CID 23105839
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
CID 23105823
1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol
CID 23105745
2-[(dimethylamino)methyl]-1-(3-fluorophenyl)-4-[(4-fluorophenyl)methoxy]cyclohexan-1-ol
CID 23105880
2-[(3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
CID 60714854
(2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol
CID 175659373
2-ethyl-2-[(3-fluorophenyl)methyl]azetidine
CID 115058779
2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol
CID 69339709
(5E)-2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-ol
CID 22642597
2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol
CID 69339698
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
CID 23105689
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-4-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(dimethylamino)methyl]-4-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol (CID 69134527) is 3-[(dimethylamino)methyl]-4-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-4-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]-4-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol is CN(C)CC1CC(O)CCC1(Cc1ccc(F)cc1)Cc1cccc(F)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-4-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is XYESJSYZLQVSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2NO/c1-26(2)16-19-13-22(27)10-11-23(19,14-17-6-8-20(24)9-7-17)15-18-4-3-5-21(25)12-18/h3-9,12,19,22,27H,10-11,13-16H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]-4-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol?
3-[(dimethylamino)methyl]-4-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 373.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-4-[(3-fluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 69134527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).