2-(3-aminopropyl)-6-bromo-3-fluorophenol

C9H11BrFNO — CID 83900259

IUPAC2-(3-aminopropyl)-6-bromo-3-fluorophenol
SMILESNCCCc1c(F)ccc(Br)c1O
InChIInChI=1S/C9H11BrFNO/c10-7-3-4-8(11)6(9(7)13)2-1-5-12/h3-4,13H,1-2,5,12H2
InChIKeyKTONUQUMQNICLY-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.19
Rot. Bonds3

About 2-(3-aminopropyl)-6-bromo-3-fluorophenol

2-(3-aminopropyl)-6-bromo-3-fluorophenol (PubChem CID 83900259) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-bromo-3-fluorophenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-bromo-3-fluorophenol
PubChem CID83900259
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name2-(3-aminopropyl)-6-bromo-3-fluorophenol
SMILESNCCCc1c(F)ccc(Br)c1O
InChIInChI=1S/C9H11BrFNO/c10-7-3-4-8(11)6(9(7)13)2-1-5-12/h3-4,13H,1-2,5,12H2
InChIKeyKTONUQUMQNICLY-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)-6-bromo-3,4-difluorophenol
CID 83902395
3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid
CID 84710938
6-bromo-2-ethyl-3-fluorophenol
CID 130713861
2-(3-aminopropyl)-3-bromo-4-fluorophenol
CID 83900223
2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
2-(3-aminopropyl)-6-bromo-3-(methoxymethyl)phenol
CID 83904177
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde
CID 83895378
3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803102
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793424
3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902095
1-(3-bromo-6-fluoro-2-hydroxyphenyl)propan-2-one
CID 83900120
3-(4-aminobutyl)-4-bromo-6-fluorobenzene-1,2-diol
CID 117445578

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6-bromo-3-fluorophenol?
The IUPAC name of 2-(3-aminopropyl)-6-bromo-3-fluorophenol (CID 83900259) is 2-(3-aminopropyl)-6-bromo-3-fluorophenol.
What is the SMILES notation for 2-(3-aminopropyl)-6-bromo-3-fluorophenol?
The canonical SMILES for 2-(3-aminopropyl)-6-bromo-3-fluorophenol is NCCCc1c(F)ccc(Br)c1O.
What is the InChIKey of 2-(3-aminopropyl)-6-bromo-3-fluorophenol?
The InChIKey is KTONUQUMQNICLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c10-7-3-4-8(11)6(9(7)13)2-1-5-12/h3-4,13H,1-2,5,12H2.
What are the key properties of 2-(3-aminopropyl)-6-bromo-3-fluorophenol?
2-(3-aminopropyl)-6-bromo-3-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)-6-bromo-3-fluorophenol is sourced from PubChem (CID 83900259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).