2-(3-aminopropyl)-4-bromo-5-fluorophenol

C9H11BrFNO — CID 83900240

IUPAC2-(3-aminopropyl)-4-bromo-5-fluorophenol
SMILESNCCCc1cc(Br)c(F)cc1O
InChIInChI=1S/C9H11BrFNO/c10-7-4-6(2-1-3-12)9(13)5-8(7)11/h4-5,13H,1-3,12H2
InChIKeyUSQMOBOUTRKRKM-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.19
Rot. Bonds3

About 2-(3-aminopropyl)-4-bromo-5-fluorophenol

2-(3-aminopropyl)-4-bromo-5-fluorophenol (PubChem CID 83900240) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-bromo-5-fluorophenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-bromo-5-fluorophenol
PubChem CID83900240
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name2-(3-aminopropyl)-4-bromo-5-fluorophenol
SMILESNCCCc1cc(Br)c(F)cc1O
InChIInChI=1S/C9H11BrFNO/c10-7-4-6(2-1-3-12)9(13)5-8(7)11/h4-5,13H,1-3,12H2
InChIKeyUSQMOBOUTRKRKM-UHFFFAOYSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminobutyl)-4-bromo-5-fluorophenol
CID 117409491
4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
CID 83904474
3-(4-bromo-2,5-difluorophenyl)propan-1-amine
CID 84803842
4-(3-aminopropyl)-6-bromo-2,3-difluorophenol
CID 117419034
2-(4-aminobutyl)-4,5-difluorophenol
CID 117289972
2-(3-aminopropyl)-4-bromo-5-propan-2-ylphenol
CID 117433020
2-(3-aminopropyl)-4-bromo-5-methoxyphenol
CID 117403912
2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900317
2-(3-aminopropyl)-4-bromo-6-fluorophenol
CID 83900251
6-(3-aminopropyl)-4-bromo-2,3-dimethylphenol
CID 83901624
3-(3-aminopropyl)naphthalen-2-ol
CID 117290164
5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol
CID 117409500

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-bromo-5-fluorophenol?
The IUPAC name of 2-(3-aminopropyl)-4-bromo-5-fluorophenol (CID 83900240) is 2-(3-aminopropyl)-4-bromo-5-fluorophenol.
What is the SMILES notation for 2-(3-aminopropyl)-4-bromo-5-fluorophenol?
The canonical SMILES for 2-(3-aminopropyl)-4-bromo-5-fluorophenol is NCCCc1cc(Br)c(F)cc1O.
What is the InChIKey of 2-(3-aminopropyl)-4-bromo-5-fluorophenol?
The InChIKey is USQMOBOUTRKRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c10-7-4-6(2-1-3-12)9(13)5-8(7)11/h4-5,13H,1-3,12H2.
What are the key properties of 2-(3-aminopropyl)-4-bromo-5-fluorophenol?
2-(3-aminopropyl)-4-bromo-5-fluorophenol has a molecular weight of 248.09 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-bromo-5-fluorophenol is sourced from PubChem (CID 83900240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).