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

C11H21F3N2O — CID 107484800

IUPAC2-[2-[(propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(CNC(C)C)CN(CCO)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9(2)15-6-10(3)7-16(4-5-17)8-11(12,13)14/h9,15,17H,3-8H2,1-2H3
InChIKeyAVHSQMMJGYXUKW-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.40
Rot. Bonds8

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

2-[2-[(propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484800) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-[(propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484800
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[2-[(propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(CNC(C)C)CN(CCO)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-9(2)15-6-10(3)7-16(4-5-17)8-11(12,13)14/h9,15,17H,3-8H2,1-2H3
InChIKeyAVHSQMMJGYXUKW-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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-[2,2-Difluoroethyl-[3-(propan-2-ylamino)propyl]amino]ethanol
CID 107484765
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-[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-[2,2-Difluoroethyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]ethanol
CID 107484781
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-[3-(Propan-2-ylamino)propyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484789
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484800) is 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol is C=C(CNC(C)C)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is AVHSQMMJGYXUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(2)15-6-10(3)7-16(4-5-17)8-11(12,13)14/h9,15,17H,3-8H2,1-2H3.
What are the key properties of 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[2-[(propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 254.30 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).