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

C11H21F3N2O — CID 107484799

IUPAC2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(CNC1CC1)CN(CCO)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9(6-15-10-2-3-10)7-16(4-5-17)8-11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeyRHRSBIITLSGFNO-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.23
Rot. Bonds8

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

2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484799) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484799
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(CNC1CC1)CN(CCO)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9(6-15-10-2-3-10)7-16(4-5-17)8-11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeyRHRSBIITLSGFNO-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484799) is 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2,2-trifluoroethyl)amino]ethanol is CC(CNC1CC1)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is RHRSBIITLSGFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(6-15-10-2-3-10)7-16(4-5-17)8-11(12,13)14/h9-10,15,17H,2-8H2,1H3.
What are the key properties of 2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[3-(cyclopropylamino)-2-methylpropyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 254.30 g/mol, XLogP of 1.23, 8 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]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).