1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol

C12H17F2NO — CID 60904159

IUPAC1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-8(2)6-15-7-12(16)10-4-3-9(13)5-11(10)14/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyHDPTZYZDWBFIKD-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.24
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol

1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol (PubChem CID 60904159) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
PubChem CID60904159
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-8(2)6-15-7-12(16)10-4-3-9(13)5-11(10)14/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyHDPTZYZDWBFIKD-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 104922106
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
CID 60979913
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901420
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol
CID 65111103
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol
CID 115694377
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol (CID 60904159) is 1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol is CC(C)CNCC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol?
The InChIKey is HDPTZYZDWBFIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8(2)6-15-7-12(16)10-4-3-9(13)5-11(10)14/h3-5,8,12,15-16H,6-7H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol?
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol has a molecular weight of 229.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 60904159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).