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

C9H11BrFNO — CID 83900223

IUPAC2-(3-aminopropyl)-3-bromo-4-fluorophenol
SMILESNCCCc1c(O)ccc(F)c1Br
InChIInChI=1S/C9H11BrFNO/c10-9-6(2-1-5-12)8(13)4-3-7(9)11/h3-4,13H,1-2,5,12H2
InChIKeyGRNDGTMVGCSALP-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.19
Rot. Bonds3

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

2-(3-aminopropyl)-3-bromo-4-fluorophenol (PubChem CID 83900223) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-(3-aminopropyl)-3-bromo-4-fluorophenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-3-bromo-4-fluorophenol
PubChem CID83900223
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name2-(3-aminopropyl)-3-bromo-4-fluorophenol
SMILESNCCCc1c(O)ccc(F)c1Br
InChIInChI=1S/C9H11BrFNO/c10-9-6(2-1-5-12)8(13)4-3-7(9)11/h3-4,13H,1-2,5,12H2
InChIKeyGRNDGTMVGCSALP-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-(3-aminopropyl)-3-bromo-4-methylphenol
CID 84802468
2-(3-aminopropyl)-3-chloro-4-fluorophenol
CID 83881714
ethyl 3-(2-bromo-3-fluoro-6-hydroxyphenyl)propanoate
CID 155580080
2-(3-aminopropyl)-6-bromo-3-fluorophenol
CID 83900259
ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate
CID 134631915
3-(3-aminopropyl)-4-chloro-2-fluorophenol
CID 84777605
(2-bromo-3,6-difluorophenyl)methanamine
CID 124707320
2-(4-aminobutyl)benzene-1,3-diol
CID 117278743
2-(3-aminopropyl)-3-(trifluoromethyl)phenol
CID 117311849
2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
CID 83902395
4-(3-aminopropyl)-3-fluorobenzene-1,2-diol
CID 117280039
2-(3-aminopropyl)-4-bromo-5-fluorophenol
CID 83900240

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-3-bromo-4-fluorophenol?
The IUPAC name of 2-(3-aminopropyl)-3-bromo-4-fluorophenol (CID 83900223) is 2-(3-aminopropyl)-3-bromo-4-fluorophenol.
What is the SMILES notation for 2-(3-aminopropyl)-3-bromo-4-fluorophenol?
The canonical SMILES for 2-(3-aminopropyl)-3-bromo-4-fluorophenol is NCCCc1c(O)ccc(F)c1Br.
What is the InChIKey of 2-(3-aminopropyl)-3-bromo-4-fluorophenol?
The InChIKey is GRNDGTMVGCSALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c10-9-6(2-1-5-12)8(13)4-3-7(9)11/h3-4,13H,1-2,5,12H2.
What are the key properties of 2-(3-aminopropyl)-3-bromo-4-fluorophenol?
2-(3-aminopropyl)-3-bromo-4-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)-3-bromo-4-fluorophenol is sourced from PubChem (CID 83900223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).