3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol

C10H13BrFNO2 — CID 84714748

IUPAC3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
SMILESCOc1cc(F)c(C(O)CCN)cc1Br
InChIInChI=1S/C10H13BrFNO2/c1-15-10-5-8(12)6(4-7(10)11)9(14)2-3-13/h4-5,9,14H,2-3,13H2,1H3
InChIKeyGEJKJYMZRGFAHT-UHFFFAOYSA-N
MW278.12 g/mol
LogP1.98
Rot. Bonds4

About 3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol

3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol (PubChem CID 84714748) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
PubChem CID84714748
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
SMILESCOc1cc(F)c(C(O)CCN)cc1Br
InChIInChI=1S/C10H13BrFNO2/c1-15-10-5-8(12)6(4-7(10)11)9(14)2-3-13/h4-5,9,14H,2-3,13H2,1H3
InChIKeyGEJKJYMZRGFAHT-UHFFFAOYSA-N
XLogP1.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol 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

2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
CID 84806984
2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol
CID 84711161
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol
CID 117437677
1-(2,5-difluoro-4-methoxyphenyl)-3-sulfanylpropan-1-ol
CID 116831045
1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol
CID 114753416
4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol
CID 84811684
2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117468575
3-(5-bromo-2-ethoxy-4-methoxyphenyl)butan-1-amine
CID 117486791
(2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 66516031
2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115779414
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol (CID 84714748) is 3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol is COc1cc(F)c(C(O)CCN)cc1Br.
What is the InChIKey of 3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol?
The InChIKey is GEJKJYMZRGFAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-15-10-5-8(12)6(4-7(10)11)9(14)2-3-13/h4-5,9,14H,2-3,13H2,1H3.
What are the key properties of 3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol?
3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol has a molecular weight of 278.12 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 84714748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).