1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride

C22H26ClF4NO — CID 11718973

IUPAC1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride
SMILESCl.OC1(C(CNCc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C22H25F4NO.ClH/c23-19-9-7-16(8-10-19)14-27-15-20(21(28)11-2-1-3-12-21)17-5-4-6-18(13-17)22(24,25)26;/h4-10,13,20,27-28H,1-3,11-12,14-15H2;1H
InChIKeyCLXGUNBMVXZFHH-UHFFFAOYSA-N
MW431.90 g/mol
LogP5.83
Rot. Bonds6

About 1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride

1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride (PubChem CID 11718973) has the molecular formula C22H26ClF4NO and a molecular weight of 431.90 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride
PubChem CID11718973
Molecular FormulaC22H26ClF4NO
Molecular Weight431.90 g/mol
Exact Mass431.16
IUPAC Name1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride
SMILESCl.OC1(C(CNCc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C22H25F4NO.ClH/c23-19-9-7-16(8-10-19)14-27-15-20(21(28)11-2-1-3-12-21)17-5-4-6-18(13-17)22(24,25)26;/h4-10,13,20,27-28H,1-3,11-12,14-15H2;1H
InChIKeyCLXGUNBMVXZFHH-UHFFFAOYSA-N
XLogP5.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.90
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride with MolForge

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Related Compounds

1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-ol
CID 103452078
1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 142686187
1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
CID 134033677
1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 11179494
(2R)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 129386467
1-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 59701187
1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 59701297
1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol
CID 103452163
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-N-[(4-fluorophenyl)methyl]-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108975875
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
(1S,2R)-1-amino-1-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 58802590

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride (CID 11718973) is 1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride is Cl.OC1(C(CNCc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is CLXGUNBMVXZFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F4NO.ClH/c23-19-9-7-16(8-10-19)14-27-15-20(21(28)11-2-1-3-12-21)17-5-4-6-18(13-17)22(24,25)26;/h4-10,13,20,27-28H,1-3,11-12,14-15H2;1H.
What are the key properties of 1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride?
1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 431.90 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 11718973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).