2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol

C10H20F2N2O — CID 107478889

IUPAC2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNCCC1(CN(CCO)CC(F)F)CC1
InChIInChI=1S/C10H20F2N2O/c11-9(12)7-14(5-6-15)8-10(1-2-10)3-4-13/h9,15H,1-8,13H2
InChIKeyFEDBIFNOSVNXNU-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.67
Rot. Bonds8

About 2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol

2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478889) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478889
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNCCC1(CN(CCO)CC(F)F)CC1
InChIInChI=1S/C10H20F2N2O/c11-9(12)7-14(5-6-15)8-10(1-2-10)3-4-13/h9,15H,1-8,13H2
InChIKeyFEDBIFNOSVNXNU-UHFFFAOYSA-N
XLogP0.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol (CID 107478889) is 2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol is NCCC1(CN(CCO)CC(F)F)CC1.
What is the InChIKey of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is FEDBIFNOSVNXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c11-9(12)7-14(5-6-15)8-10(1-2-10)3-4-13/h9,15H,1-8,13H2.
What are the key properties of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol?
2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 222.28 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-aminoethyl)cyclopropyl]methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).