4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol

C9H11BrFNO — CID 84803490

IUPAC4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol
SMILESCC(CN)c1cc(Br)c(O)cc1F
InChIInChI=1S/C9H11BrFNO/c1-5(4-12)6-2-7(10)9(13)3-8(6)11/h2-3,5,13H,4,12H2,1H3
InChIKeyVURABDZFOMFAKB-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.36
Rot. Bonds2

About 4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol

4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol (PubChem CID 84803490) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol
PubChem CID84803490
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol
SMILESCC(CN)c1cc(Br)c(O)cc1F
InChIInChI=1S/C9H11BrFNO/c1-5(4-12)6-2-7(10)9(13)3-8(6)11/h2-3,5,13H,4,12H2,1H3
InChIKeyVURABDZFOMFAKB-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-bromo-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84698228
2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
CID 84806984
4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol
CID 84807304
2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117433028
2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol
CID 84777609
2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol
CID 83900254
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol
CID 84788308
4-bromo-5-fluoro-2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]phenol
CID 104581898
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117461466
2-(3-bromo-2,6-difluorophenyl)propan-1-amine
CID 106943854

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol?
The IUPAC name of 4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol (CID 84803490) is 4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol?
The canonical SMILES for 4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol is CC(CN)c1cc(Br)c(O)cc1F.
What is the InChIKey of 4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol?
The InChIKey is VURABDZFOMFAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-5(4-12)6-2-7(10)9(13)3-8(6)11/h2-3,5,13H,4,12H2,1H3.
What are the key properties of 4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol?
4-(1-aminopropan-2-yl)-2-bromo-5-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 4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol is sourced from PubChem (CID 84803490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).