2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol

C10H22F2N2O — CID 107486587

IUPAC2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol
SMILESCC(N)C(C)(C)CN(CCO)CC(F)F
InChIInChI=1S/C10H22F2N2O/c1-8(13)10(2,3)7-14(4-5-15)6-9(11)12/h8-9,15H,4-7,13H2,1-3H3
InChIKeyWAYQJZVYABMPHL-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.92
Rot. Bonds7

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

2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107486587) has the molecular formula C10H22F2N2O and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107486587
Molecular FormulaC10H22F2N2O
Molecular Weight224.29 g/mol
Exact Mass224.17
IUPAC Name2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol
SMILESCC(N)C(C)(C)CN(CCO)CC(F)F
InChIInChI=1S/C10H22F2N2O/c1-8(13)10(2,3)7-14(4-5-15)6-9(11)12/h8-9,15H,4-7,13H2,1-3H3
InChIKeyWAYQJZVYABMPHL-UHFFFAOYSA-N
XLogP0.92
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol
CID 107486683
2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol
CID 107494999
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal
CID 107486395
2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol
CID 107494982
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484946
5-[(3-amino-2,2-dimethylbutyl)-methylamino]pentan-1-ol
CID 107204560
2-[2,2-difluoroethyl-[2-methyl-3-(methylamino)propyl]amino]ethanol
CID 107484772
2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol
CID 107485262
2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol
CID 107484971
2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol
CID 107485527
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485716
butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate
CID 107480814

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol (CID 107486587) is 2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol is CC(N)C(C)(C)CN(CCO)CC(F)F.
What is the InChIKey of 2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is WAYQJZVYABMPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22F2N2O/c1-8(13)10(2,3)7-14(4-5-15)6-9(11)12/h8-9,15H,4-7,13H2,1-3H3.
What are the key properties of 2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol?
2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 224.29 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107486587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).