2-[2,2-difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol

C13H28F2N2O — CID 107486710

IUPAC2-[2,2-difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol
SMILESCCCC(C)(CNCC)CN(CCO)CC(F)F
InChIInChI=1S/C13H28F2N2O/c1-4-6-13(3,10-16-5-2)11-17(7-8-18)9-12(14)15/h12,16,18H,4-11H2,1-3H3
InChIKeyARVYGWINTDGUHM-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.96
Rot. Bonds11

About 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol

2-[2,2-difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol (PubChem CID 107486710) has the molecular formula C13H28F2N2O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol
PubChem CID107486710
Molecular FormulaC13H28F2N2O
Molecular Weight266.38 g/mol
Exact Mass266.22
IUPAC Name2-[2,2-difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol
SMILESCCCC(C)(CNCC)CN(CCO)CC(F)F
InChIInChI=1S/C13H28F2N2O/c1-4-6-13(3,10-16-5-2)11-17(7-8-18)9-12(14)15/h12,16,18H,4-11H2,1-3H3
InChIKeyARVYGWINTDGUHM-UHFFFAOYSA-N
XLogP1.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.96
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-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol (CID 107486710) is 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol is CCCC(C)(CNCC)CN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol?
The InChIKey is ARVYGWINTDGUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28F2N2O/c1-4-6-13(3,10-16-5-2)11-17(7-8-18)9-12(14)15/h12,16,18H,4-11H2,1-3H3.
What are the key properties of 2-[2,2-difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-(ethylaminomethyl)-2-methylpentyl]amino]ethanol has a molecular weight of 266.38 g/mol, XLogP of 1.96, 11 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-(ethylaminomethyl)-2-methylpentyl]amino]ethanol is sourced from PubChem (CID 107486710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).