2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol

C11H19F3N2O — CID 107484806

IUPAC2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(CNC1CC1)CN(CCO)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-9(6-15-10-2-3-10)7-16(4-5-17)8-11(12,13)14/h10,15,17H,1-8H2
InChIKeyZOXIMEJZPXCSSB-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.15
Rot. Bonds8

About 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484806) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484806
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(CNC1CC1)CN(CCO)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-9(6-15-10-2-3-10)7-16(4-5-17)8-11(12,13)14/h10,15,17H,1-8H2
InChIKeyZOXIMEJZPXCSSB-UHFFFAOYSA-N
XLogP1.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(Aminomethyl)prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
CID 107484770
2-[2-[(Tert-butylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
CID 107484771
2-[2,2-Difluoroethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 107484773
2-[[3-(Cyclopropylamino)-2-methylpropyl]-(2,2-difluoroethyl)amino]ethanol
CID 107484776
2-[2,2-Difluoroethyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
CID 107484777
2-[2,2-Difluoroethyl-[2-(methylaminomethyl)prop-2-enyl]amino]ethanol
CID 107484778
2-[3-(Cyclopropylamino)propyl-(2,2-difluoroethyl)amino]ethanol
CID 107484779
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl-(2,2-difluoroethyl)amino]ethanol
CID 107484783
2-[2,2-Difluoroethyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 107484785
2-[2-(Aminomethyl)prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484794
2-[2-[(Tert-butylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484795
2-[[3-(Cyclopropylamino)-2-methylpropyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484799

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484806) is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol is C=C(CNC1CC1)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is ZOXIMEJZPXCSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-9(6-15-10-2-3-10)7-16(4-5-17)8-11(12,13)14/h10,15,17H,1-8H2.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 252.28 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).