1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol

C13H19F2NO2 — CID 115476114

IUPAC1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COc1cccc(F)c1F
InChIInChI=1S/C13H19F2NO2/c1-13(2,3)16-7-9(17)8-18-11-6-4-5-10(14)12(11)15/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeyOOTNFWFHAPYBTM-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.09
Rot. Bonds5

About 1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol

1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol (PubChem CID 115476114) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
PubChem CID115476114
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COc1cccc(F)c1F
InChIInChI=1S/C13H19F2NO2/c1-13(2,3)16-7-9(17)8-18-11-6-4-5-10(14)12(11)15/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeyOOTNFWFHAPYBTM-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylamino)-3-(3-chloro-2-fluorophenoxy)propan-2-ol
CID 116688883
1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol
CID 63038505
4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-fluorobenzene-1,2-diol
CID 559929
(2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 53471614
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
3-(2,3-difluorophenoxy)propane-1,2-diol
CID 79838719
methyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]benzoate
CID 13040879
1-(tert-butylamino)-3-(2,3,4,5,6-pentafluorophenoxy)propan-2-ol
CID 115476032
1-(tert-butylamino)-3-(3-chloro-4-fluorophenoxy)propan-2-ol
CID 115476132
1-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]anthracene-9,10-dione
CID 97356918
1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol
CID 114934806

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol (CID 115476114) is 1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol is CC(C)(C)NCC(O)COc1cccc(F)c1F.
What is the InChIKey of 1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol?
The InChIKey is OOTNFWFHAPYBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-13(2,3)16-7-9(17)8-18-11-6-4-5-10(14)12(11)15/h4-6,9,16-17H,7-8H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol?
1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol has a molecular weight of 259.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol is sourced from PubChem (CID 115476114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).