acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol

C14H22FNO4 — CID 138473211

IUPACacetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol
SMILESCC(=O)O.CC(C)(C)NCC(O)c1ccc(F)cc1O
InChIInChI=1S/C12H18FNO2.C2H4O2/c1-12(2,3)14-7-11(16)9-5-4-8(13)6-10(9)15;1-2(3)4/h4-6,11,14-16H,7H2,1-3H3;1H3,(H,3,4)
InChIKeyCAQZOAHKIUNUOY-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.04
Rot. Bonds3

About acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol

acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol (PubChem CID 138473211) has the molecular formula C14H22FNO4 and a molecular weight of 287.33 g/mol. Its IUPAC name is acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol.

Molecular Properties

Compound Nameacetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol
PubChem CID138473211
Molecular FormulaC14H22FNO4
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Nameacetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol
SMILESCC(=O)O.CC(C)(C)NCC(O)c1ccc(F)cc1O
InChIInChI=1S/C12H18FNO2.C2H4O2/c1-12(2,3)14-7-11(16)9-5-4-8(13)6-10(9)15;1-2(3)4/h4-6,11,14-16H,7H2,1-3H3;1H3,(H,3,4)
InChIKeyCAQZOAHKIUNUOY-UHFFFAOYSA-N
XLogP2.04
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-2-methylpropanamide
CID 61218464
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117280331
5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83142009
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2-methylpentanoic acid
CID 65055942
4-[2-(tert-butylamino)-1-hydroxyethyl]-3-chlorobenzene-1,2-diol
CID 54563493
[4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] hydrogen carbonate
CID 70481790
tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate
CID 107248495
1-(4-fluoro-2-methylphenyl)-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethanol
CID 111565157
4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol
CID 24994231
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol?
The IUPAC name of acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol (CID 138473211) is acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol.
What is the SMILES notation for acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol?
The canonical SMILES for acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol is CC(=O)O.CC(C)(C)NCC(O)c1ccc(F)cc1O.
What is the InChIKey of acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol?
The InChIKey is CAQZOAHKIUNUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2.C2H4O2/c1-12(2,3)14-7-11(16)9-5-4-8(13)6-10(9)15;1-2(3)4/h4-6,11,14-16H,7H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol?
acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol has a molecular weight of 287.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[2-(tert-butylamino)-1-hydroxyethyl]-5-fluorophenol is sourced from PubChem (CID 138473211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).