3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

C13H24F3NO — CID 165496311

IUPAC3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCN(CC(C)C)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-4-17(8-9(2)3)12-7-10(18)5-6-11(12)13(14,15)16/h9-12,18H,4-8H2,1-3H3
InChIKeyXYSOEWOYVHBKCT-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.06
Rot. Bonds4

About 3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165496311) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165496311
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCN(CC(C)C)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-4-17(8-9(2)3)12-7-10(18)5-6-11(12)13(14,15)16/h9-12,18H,4-8H2,1-3H3
InChIKeyXYSOEWOYVHBKCT-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol
CID 165497912
4-tert-butyl-3-(diethylamino)cyclohexan-1-ol
CID 165491972
4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 165498179
2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol
CID 63472662
4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol
CID 63701583
3-[2-methoxyethyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496233
3-[methyl-[(1-methylazetidin-3-yl)methyl]amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496382
3-[(2-methoxy-2-methylpropyl)-methylamino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496380
4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol
CID 165498702
3-[ethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165491462
4-methyl-3-[methyl(2-methylpropyl)amino]cyclohexan-1-ol
CID 165490848
3-(diethylamino)cyclopentan-1-ol
CID 79643942

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (CID 165496311) is 3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is CCN(CC(C)C)C1CC(O)CCC1C(F)(F)F.
What is the InChIKey of 3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is XYSOEWOYVHBKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-4-17(8-9(2)3)12-7-10(18)5-6-11(12)13(14,15)16/h9-12,18H,4-8H2,1-3H3.
What are the key properties of 3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165496311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).