1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol

C17H24F3NO — CID 10403428

IUPAC1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
SMILESCN(C)CC(c1cccc(C(F)(F)F)c1)C1(O)CCCCC1
InChIInChI=1S/C17H24F3NO/c1-21(2)12-15(16(22)9-4-3-5-10-16)13-7-6-8-14(11-13)17(18,19)20/h6-8,11,15,22H,3-5,9-10,12H2,1-2H3
InChIKeyYUTGLCAFRPAGFA-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.05
Rot. Bonds4

About 1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol

1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol (PubChem CID 10403428) has the molecular formula C17H24F3NO and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
PubChem CID10403428
Molecular FormulaC17H24F3NO
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
SMILESCN(C)CC(c1cccc(C(F)(F)F)c1)C1(O)CCCCC1
InChIInChI=1S/C17H24F3NO/c1-21(2)12-15(16(22)9-4-3-5-10-16)13-7-6-8-14(11-13)17(18,19)20/h6-8,11,15,22H,3-5,9-10,12H2,1-2H3
InChIKeyYUTGLCAFRPAGFA-UHFFFAOYSA-N
XLogP4.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol (CID 10403428) is 1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol is CN(C)CC(c1cccc(C(F)(F)F)c1)C1(O)CCCCC1.
What is the InChIKey of 1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
The InChIKey is YUTGLCAFRPAGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO/c1-21(2)12-15(16(22)9-4-3-5-10-16)13-7-6-8-14(11-13)17(18,19)20/h6-8,11,15,22H,3-5,9-10,12H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol?
1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol has a molecular weight of 315.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol is sourced from PubChem (CID 10403428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).