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

C12H20F3NO — CID 165490688

IUPAC3-[cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCN(C1CC1)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-2-16(8-3-4-8)11-7-9(17)5-6-10(11)12(13,14)15/h8-11,17H,2-7H2,1H3
InChIKeyHSFOVUUCGXLORF-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.56
Rot. Bonds3

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

3-[cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490688) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490688
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name3-[cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCN(C1CC1)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-2-16(8-3-4-8)11-7-9(17)5-6-10(11)12(13,14)15/h8-11,17H,2-7H2,1H3
InChIKeyHSFOVUUCGXLORF-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094671
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609560
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 62609561
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609735
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 79619095
3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[(2-Methoxyethyl)(propan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490684
3-[(2-Ethoxyethyl)(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490685
3-[Cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490687
3-[Methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490689
3-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490690
3-[Cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490691

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-[cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490688) is 3-[cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-[cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-[cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is CCN(C1CC1)C1CC(O)CCC1C(F)(F)F.
What is the InChIKey of 3-[cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is HSFOVUUCGXLORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-2-16(8-3-4-8)11-7-9(17)5-6-10(11)12(13,14)15/h8-11,17H,2-7H2,1H3.
What are the key properties of 3-[cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
3-[cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 251.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).