[1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol

C14H27F3N2O — CID 64754510

IUPAC[1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol
SMILESCCN(CC)CCNC1(CO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2O/c1-3-19(4-2)10-9-18-13(11-20)7-5-12(6-8-13)14(15,16)17/h12,18,20H,3-11H2,1-2H3
InChIKeyLYQMNCJYFKYNDW-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.40
Rot. Bonds7

About [1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol

[1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 64754510) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is [1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID64754510
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name[1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol
SMILESCCN(CC)CCNC1(CO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2O/c1-3-19(4-2)10-9-18-13(11-20)7-5-12(6-8-13)14(15,16)17/h12,18,20H,3-11H2,1-2H3
InChIKeyLYQMNCJYFKYNDW-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of [1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol (CID 64754510) is [1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for [1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol is CCN(CC)CCNC1(CO)CCC(C(F)(F)F)CC1.
What is the InChIKey of [1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is LYQMNCJYFKYNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-3-19(4-2)10-9-18-13(11-20)7-5-12(6-8-13)14(15,16)17/h12,18,20H,3-11H2,1-2H3.
What are the key properties of [1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol?
[1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 296.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 64754510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).