1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol

C18H26F3NO — CID 14739948

IUPAC1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol
SMILESCN(C)CC(c1ccc(C(F)(F)F)cc1)C1(O)CCCCCC1
InChIInChI=1S/C18H26F3NO/c1-22(2)13-16(17(23)11-5-3-4-6-12-17)14-7-9-15(10-8-14)18(19,20)21/h7-10,16,23H,3-6,11-13H2,1-2H3
InChIKeyDIJHWDLCXYFXRM-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.44
Rot. Bonds4

About 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol

1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol (PubChem CID 14739948) has the molecular formula C18H26F3NO and a molecular weight of 329.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol
PubChem CID14739948
Molecular FormulaC18H26F3NO
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol
SMILESCN(C)CC(c1ccc(C(F)(F)F)cc1)C1(O)CCCCCC1
InChIInChI=1S/C18H26F3NO/c1-22(2)13-16(17(23)11-5-3-4-6-12-17)14-7-9-15(10-8-14)18(19,20)21/h7-10,16,23H,3-6,11-13H2,1-2H3
InChIKeyDIJHWDLCXYFXRM-UHFFFAOYSA-N
XLogP4.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.44
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-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol?
The IUPAC name of 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol (CID 14739948) is 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol?
The canonical SMILES for 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol is CN(C)CC(c1ccc(C(F)(F)F)cc1)C1(O)CCCCCC1.
What is the InChIKey of 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol?
The InChIKey is DIJHWDLCXYFXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO/c1-22(2)13-16(17(23)11-5-3-4-6-12-17)14-7-9-15(10-8-14)18(19,20)21/h7-10,16,23H,3-6,11-13H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol?
1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol has a molecular weight of 329.41 g/mol, XLogP of 4.44, 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-[4-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol is sourced from PubChem (CID 14739948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).