1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol

C16H25F2NO — CID 102905470

IUPAC1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
SMILESCC(C)C(CNCC(O)c1ccc(F)cc1F)C(C)C
InChIInChI=1S/C16H25F2NO/c1-10(2)14(11(3)4)8-19-9-16(20)13-6-5-12(17)7-15(13)18/h5-7,10-11,14,16,19-20H,8-9H2,1-4H3
InChIKeyQKURENWFBZRPPV-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.52
Rot. Bonds7

About 1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol

1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol (PubChem CID 102905470) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
PubChem CID102905470
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
SMILESCC(C)C(CNCC(O)c1ccc(F)cc1F)C(C)C
InChIInChI=1S/C16H25F2NO/c1-10(2)14(11(3)4)8-19-9-16(20)13-6-5-12(17)7-15(13)18/h5-7,10-11,14,16,19-20H,8-9H2,1-4H3
InChIKeyQKURENWFBZRPPV-UHFFFAOYSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
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-(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-ethylacetamide
CID 54938970

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol (CID 102905470) is 1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol is CC(C)C(CNCC(O)c1ccc(F)cc1F)C(C)C.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol?
The InChIKey is QKURENWFBZRPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-10(2)14(11(3)4)8-19-9-16(20)13-6-5-12(17)7-15(13)18/h5-7,10-11,14,16,19-20H,8-9H2,1-4H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol?
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol has a molecular weight of 285.38 g/mol, XLogP of 3.52, 7 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-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol is sourced from PubChem (CID 102905470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).