[1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol

C12H23F3N2O — CID 64757841

IUPAC[1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol
SMILESCN(C)CCNC1(CO)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-17(2)7-6-16-11(9-18)5-3-4-10(8-11)12(13,14)15/h10,16,18H,3-9H2,1-2H3
InChIKeyQYFBSHYUZRHQOY-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.62
Rot. Bonds5

About [1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol

[1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 64757841) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol
PubChem CID64757841
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name[1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol
SMILESCN(C)CCNC1(CO)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-17(2)7-6-16-11(9-18)5-3-4-10(8-11)12(13,14)15/h10,16,18H,3-9H2,1-2H3
InChIKeyQYFBSHYUZRHQOY-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of [1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol (CID 64757841) is [1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for [1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol is CN(C)CCNC1(CO)CCCC(C(F)(F)F)C1.
What is the InChIKey of [1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is QYFBSHYUZRHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-17(2)7-6-16-11(9-18)5-3-4-10(8-11)12(13,14)15/h10,16,18H,3-9H2,1-2H3.
What are the key properties of [1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol?
[1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 268.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 64757841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).