2-[2,2-difluoroethyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol

C15H30F2N2O — CID 107486643

IUPAC2-[2,2-difluoroethyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
SMILESCCCNC1CCC(C)CC1CN(CCO)CC(F)F
InChIInChI=1S/C15H30F2N2O/c1-3-6-18-14-5-4-12(2)9-13(14)10-19(7-8-20)11-15(16)17/h12-15,18,20H,3-11H2,1-2H3
InChIKeyRGCYQLNXEAHRLI-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.35
Rot. Bonds9

About 2-[2,2-difluoroethyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol

2-[2,2-difluoroethyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol (PubChem CID 107486643) has the molecular formula C15H30F2N2O and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
PubChem CID107486643
Molecular FormulaC15H30F2N2O
Molecular Weight292.41 g/mol
Exact Mass292.23
IUPAC Name2-[2,2-difluoroethyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
SMILESCCCNC1CCC(C)CC1CN(CCO)CC(F)F
InChIInChI=1S/C15H30F2N2O/c1-3-6-18-14-5-4-12(2)9-13(14)10-19(7-8-20)11-15(16)17/h12-15,18,20H,3-11H2,1-2H3
InChIKeyRGCYQLNXEAHRLI-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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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol (CID 107486643) is 2-[2,2-difluoroethyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol is CCCNC1CCC(C)CC1CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol?
The InChIKey is RGCYQLNXEAHRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2N2O/c1-3-6-18-14-5-4-12(2)9-13(14)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-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol?
2-[2,2-difluoroethyl-[[5-methyl-2-(propylamino)cyclohexyl]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-[[5-methyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 107486643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).