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

C23H29F2NO2 — CID 23105839

IUPAC2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CC(OCc2ccc(F)cc2)CCC1(O)Cc1cccc(F)c1
InChIInChI=1S/C23H29F2NO2/c1-26(2)15-19-13-22(28-16-17-6-8-20(24)9-7-17)10-11-23(19,27)14-18-4-3-5-21(25)12-18/h3-9,12,19,22,27H,10-11,13-16H2,1-2H3
InChIKeyDHPDBLQGKOFXOK-UHFFFAOYSA-N
MW389.49 g/mol
LogP4.19
Rot. Bonds7

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

2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 23105839) has the molecular formula C23H29F2NO2 and a molecular weight of 389.49 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol
PubChem CID23105839
Molecular FormulaC23H29F2NO2
Molecular Weight389.49 g/mol
Exact Mass389.22
IUPAC Name2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CC(OCc2ccc(F)cc2)CCC1(O)Cc1cccc(F)c1
InChIInChI=1S/C23H29F2NO2/c1-26(2)15-19-13-22(28-16-17-6-8-20(24)9-7-17)10-11-23(19,27)14-18-4-3-5-21(25)12-18/h3-9,12,19,22,27H,10-11,13-16H2,1-2H3
InChIKeyDHPDBLQGKOFXOK-UHFFFAOYSA-N
XLogP4.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol (CID 23105839) is 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol is CN(C)CC1CC(OCc2ccc(F)cc2)CCC1(O)Cc1cccc(F)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is DHPDBLQGKOFXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2NO2/c1-26(2)15-19-13-22(28-16-17-6-8-20(24)9-7-17)10-11-23(19,27)14-18-4-3-5-21(25)12-18/h3-9,12,19,22,27H,10-11,13-16H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol?
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 389.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 23105839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).