2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol

C9H11BrFNO — CID 83900254

IUPAC2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol
SMILESCC(CN)c1cc(Br)cc(F)c1O
InChIInChI=1S/C9H11BrFNO/c1-5(4-12)7-2-6(10)3-8(11)9(7)13/h2-3,5,13H,4,12H2,1H3
InChIKeyORWYWDKMRRQEST-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.36
Rot. Bonds2

About 2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol

2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol (PubChem CID 83900254) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol
PubChem CID83900254
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol
SMILESCC(CN)c1cc(Br)cc(F)c1O
InChIInChI=1S/C9H11BrFNO/c1-5(4-12)7-2-6(10)3-8(11)9(7)13/h2-3,5,13H,4,12H2,1H3
InChIKeyORWYWDKMRRQEST-UHFFFAOYSA-N
XLogP2.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-aminoethyl]-4-bromo-6-fluorophenol
CID 130713722
4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol
CID 84807304
2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol
CID 66515526
4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol
CID 84803490
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171256747
4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84811290
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
4-bromo-2-[1-(but-2-ynylamino)ethyl]-6-fluorophenol
CID 104583639
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171256743
(2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
CID 130691393
2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
CID 77129596
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-bromo-6-fluorophenol
CID 131342980

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol?
The IUPAC name of 2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol (CID 83900254) is 2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol is CC(CN)c1cc(Br)cc(F)c1O.
What is the InChIKey of 2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol?
The InChIKey is ORWYWDKMRRQEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-5(4-12)7-2-6(10)3-8(11)9(7)13/h2-3,5,13H,4,12H2,1H3.
What are the key properties of 2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol?
2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol has a molecular weight of 248.09 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol is sourced from PubChem (CID 83900254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).