2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol

C11H24F2N2O — CID 107486683

IUPAC2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol
SMILESCC(C)(C)C(N)CCN(CCO)CC(F)F
InChIInChI=1S/C11H24F2N2O/c1-11(2,3)9(14)4-5-15(6-7-16)8-10(12)13/h9-10,16H,4-8,14H2,1-3H3
InChIKeyXEYMTDBVBWFUEQ-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.31
Rot. Bonds7

About 2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol

2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107486683) has the molecular formula C11H24F2N2O and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107486683
Molecular FormulaC11H24F2N2O
Molecular Weight238.32 g/mol
Exact Mass238.19
IUPAC Name2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol
SMILESCC(C)(C)C(N)CCN(CCO)CC(F)F
InChIInChI=1S/C11H24F2N2O/c1-11(2,3)9(14)4-5-15(6-7-16)8-10(12)13/h9-10,16H,4-8,14H2,1-3H3
InChIKeyXEYMTDBVBWFUEQ-UHFFFAOYSA-N
XLogP1.31
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2,2-dimethylbutyl)-(2,2-difluoroethyl)amino]ethanol
CID 107486587
2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107486461
2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol
CID 107484971
2-[2,2-difluoroethyl-[2-(trifluoromethoxy)ethyl]amino]ethanol
CID 107485527
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal
CID 107486395
3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol
CID 62623197
2-[2,2-difluoroethyl(2-methylprop-2-enyl)amino]ethanol
CID 107485262
1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine
CID 62625207
2-[(3-amino-4,4-dimethylpentyl)-methylamino]propan-1-ol
CID 104554695
2-[2,2-difluoroethyl-(2-methyl-3-sulfanylpropyl)amino]ethanol
CID 107494982
2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 107486499
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484946

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol (CID 107486683) is 2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol is CC(C)(C)C(N)CCN(CCO)CC(F)F.
What is the InChIKey of 2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is XEYMTDBVBWFUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24F2N2O/c1-11(2,3)9(14)4-5-15(6-7-16)8-10(12)13/h9-10,16H,4-8,14H2,1-3H3.
What are the key properties of 2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol?
2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 238.32 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4,4-dimethylpentyl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107486683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).