2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol

C15H30F2N2O — CID 107486531

IUPAC2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
SMILESCCCC1CCC(NC)C(CN(CCO)CC(F)F)C1
InChIInChI=1S/C15H30F2N2O/c1-3-4-12-5-6-14(18-2)13(9-12)10-19(7-8-20)11-15(16)17/h12-15,18,20H,3-11H2,1-2H3
InChIKeyHEPHNDGKUJUKNJ-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.35
Rot. Bonds9

About 2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol

2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol (PubChem CID 107486531) has the molecular formula C15H30F2N2O and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
PubChem CID107486531
Molecular FormulaC15H30F2N2O
Molecular Weight292.41 g/mol
Exact Mass292.23
IUPAC Name2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
SMILESCCCC1CCC(NC)C(CN(CCO)CC(F)F)C1
InChIInChI=1S/C15H30F2N2O/c1-3-4-12-5-6-14(18-2)13(9-12)10-19(7-8-20)11-15(16)17/h12-15,18,20H,3-11H2,1-2H3
InChIKeyHEPHNDGKUJUKNJ-UHFFFAOYSA-N
XLogP2.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 55094432
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62610658
2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol
CID 107486535
2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610825
2-[2,2-difluoroethyl-[[2-(ethylamino)-5-methylcyclohexyl]methyl]amino]ethanol
CID 107486480
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-propylamino]ethanol
CID 62610162
2-[ethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610130
2-[butyl-[[2-(ethylamino)-5-propylcyclohexyl]methyl]amino]ethanol
CID 63493495
N-methyl-2-[[methyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093934
2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol
CID 55094802
2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 62616762
2-[2,2-difluoroethyl-[[2-(ethylamino)-5-propan-2-ylcyclohexyl]methyl]amino]ethanol
CID 107486534

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol (CID 107486531) is 2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol is CCCC1CCC(NC)C(CN(CCO)CC(F)F)C1.
What is the InChIKey of 2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol?
The InChIKey is HEPHNDGKUJUKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2N2O/c1-3-4-12-5-6-14(18-2)13(9-12)10-19(7-8-20)11-15(16)17/h12-15,18,20H,3-11H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol?
2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol has a molecular weight of 292.41 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[[2-(methylamino)-5-propylcyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 107486531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).