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

C9H11BrFNO — CID 117372695

IUPAC4-(2-aminopropyl)-2-bromo-3-fluorophenol
SMILESCC(N)Cc1ccc(O)c(Br)c1F
InChIInChI=1S/C9H11BrFNO/c1-5(12)4-6-2-3-7(13)8(10)9(6)11/h2-3,5,13H,4,12H2,1H3
InChIKeyCDCBEOJTQKPKJH-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.18
Rot. Bonds2

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

4-(2-aminopropyl)-2-bromo-3-fluorophenol (PubChem CID 117372695) has the molecular formula C9H11BrFNO and a molecular weight of 248.09 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2-bromo-3-fluorophenol.

Molecular Properties

Compound Name4-(2-aminopropyl)-2-bromo-3-fluorophenol
PubChem CID117372695
Molecular FormulaC9H11BrFNO
Molecular Weight248.09 g/mol
Exact Mass247.00
IUPAC Name4-(2-aminopropyl)-2-bromo-3-fluorophenol
SMILESCC(N)Cc1ccc(O)c(Br)c1F
InChIInChI=1S/C9H11BrFNO/c1-5(12)4-6-2-3-7(13)8(10)9(6)11/h2-3,5,13H,4,12H2,1H3
InChIKeyCDCBEOJTQKPKJH-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-aminopropyl)-2-bromo-3-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2R)-2-aminopropyl]-2-bromophenol
CID 130742864
1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 117378215
(2S)-1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 130658227
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
2-(3-bromo-2-fluoro-4-hydroxyphenyl)acetonitrile
CID 84793427
3-(3-bromo-2-fluoro-4-hydroxyphenyl)propanal
CID 117369384
1-(5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117468288
3-(3-bromo-2,4-difluorophenyl)-2-methylpropanoic acid
CID 84811503
3-(2-aminopropyl)-4-bromobenzene-1,2-diol
CID 117366974

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2-bromo-3-fluorophenol?
The IUPAC name of 4-(2-aminopropyl)-2-bromo-3-fluorophenol (CID 117372695) is 4-(2-aminopropyl)-2-bromo-3-fluorophenol.
What is the SMILES notation for 4-(2-aminopropyl)-2-bromo-3-fluorophenol?
The canonical SMILES for 4-(2-aminopropyl)-2-bromo-3-fluorophenol is CC(N)Cc1ccc(O)c(Br)c1F.
What is the InChIKey of 4-(2-aminopropyl)-2-bromo-3-fluorophenol?
The InChIKey is CDCBEOJTQKPKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO/c1-5(12)4-6-2-3-7(13)8(10)9(6)11/h2-3,5,13H,4,12H2,1H3.
What are the key properties of 4-(2-aminopropyl)-2-bromo-3-fluorophenol?
4-(2-aminopropyl)-2-bromo-3-fluorophenol has a molecular weight of 248.09 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2-bromo-3-fluorophenol is sourced from PubChem (CID 117372695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).