6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol

C10H13BrFNO2 — CID 84811300

IUPAC6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
SMILESCOc1c(Br)cc(C(C)CN)c(O)c1F
InChIInChI=1S/C10H13BrFNO2/c1-5(4-13)6-3-7(11)10(15-2)8(12)9(6)14/h3,5,14H,4,13H2,1-2H3
InChIKeyBGMIAPRCBYDPBO-UHFFFAOYSA-N
MW278.12 g/mol
LogP2.36
Rot. Bonds3

About 6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol

6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol (PubChem CID 84811300) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol.

Molecular Properties

Compound Name6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
PubChem CID84811300
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
SMILESCOc1c(Br)cc(C(C)CN)c(O)c1F
InChIInChI=1S/C10H13BrFNO2/c1-5(4-13)6-3-7(11)10(15-2)8(12)9(6)14/h3,5,14H,4,13H2,1-2H3
InChIKeyBGMIAPRCBYDPBO-UHFFFAOYSA-N
XLogP2.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol 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

4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol
CID 84807304
6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol
CID 84794194
6-amino-4-bromo-2-fluoro-3-methoxyphenol
CID 84797950
3-amino-2-(5-bromo-3-fluoro-4-hydroxy-2-methoxyphenyl)propanoic acid
CID 117492875
2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
CID 84806984
2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol
CID 84803490
2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol
CID 83900254
2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol
CID 117468539
4-bromo-6-chloro-2-fluoro-3-methoxyphenol
CID 84805039
2-[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117496682
3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
CID 117288592

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol?
The IUPAC name of 6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol (CID 84811300) is 6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol.
What is the SMILES notation for 6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol?
The canonical SMILES for 6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol is COc1c(Br)cc(C(C)CN)c(O)c1F.
What is the InChIKey of 6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol?
The InChIKey is BGMIAPRCBYDPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-5(4-13)6-3-7(11)10(15-2)8(12)9(6)14/h3,5,14H,4,13H2,1-2H3.
What are the key properties of 6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol?
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol has a molecular weight of 278.12 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol is sourced from PubChem (CID 84811300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).