2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol

C12H17F2NO — CID 60900936

IUPAC2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
SMILESCC(C)(C)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-12(2,3)15-7-11(16)9-5-4-8(13)6-10(9)14/h4-6,11,15-16H,7H2,1-3H3
InChIKeyHWKDKMWNIGHDAE-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.39
Rot. Bonds3

About 2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol

2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol (PubChem CID 60900936) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
PubChem CID60900936
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
SMILESCC(C)(C)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO/c1-12(2,3)15-7-11(16)9-5-4-8(13)6-10(9)14/h4-6,11,15-16H,7H2,1-3H3
InChIKeyHWKDKMWNIGHDAE-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide
CID 61218464
acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol
CID 138473211
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol
CID 65437921
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
1-(2,4-difluorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ylamino]ethanol
CID 110921568
1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644662
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol
CID 65111103
1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
2-(3-chloro-4-methylanilino)-1-(2,4-difluorophenyl)ethanol
CID 60898778
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol (CID 60900936) is 2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol is CC(C)(C)NCC(O)c1ccc(F)cc1F.
What is the InChIKey of 2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol?
The InChIKey is HWKDKMWNIGHDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-12(2,3)15-7-11(16)9-5-4-8(13)6-10(9)14/h4-6,11,15-16H,7H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol?
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol has a molecular weight of 229.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 60900936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).