2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol

C11H22F2N2O — CID 107484776

IUPAC2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCC(CNC1CC1)CN(CCO)CC(F)F
InChIInChI=1S/C11H22F2N2O/c1-9(6-14-10-2-3-10)7-15(4-5-16)8-11(12)13/h9-11,14,16H,2-8H2,1H3
InChIKeyAGNKZUPKPFQWNG-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.93
Rot. Bonds9

About 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol

2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107484776) has the molecular formula C11H22F2N2O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107484776
Molecular FormulaC11H22F2N2O
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol
SMILESCC(CNC1CC1)CN(CCO)CC(F)F
InChIInChI=1S/C11H22F2N2O/c1-9(6-14-10-2-3-10)7-15(4-5-16)8-11(12)13/h9-11,14,16H,2-8H2,1H3
InChIKeyAGNKZUPKPFQWNG-UHFFFAOYSA-N
XLogP0.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol (CID 107484776) is 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol is CC(CNC1CC1)CN(CCO)CC(F)F.
What is the InChIKey of 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is AGNKZUPKPFQWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O/c1-9(6-14-10-2-3-10)7-15(4-5-16)8-11(12)13/h9-11,14,16H,2-8H2,1H3.
What are the key properties of 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 236.31 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107484776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).