3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol

C10H13BrFNO2 — CID 84714745

IUPAC3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(Br)c(C(N)CCO)c1F
InChIInChI=1S/C10H13BrFNO2/c1-15-8-3-2-6(11)9(10(8)12)7(13)4-5-14/h2-3,7,14H,4-5,13H2,1H3
InChIKeyWWYHUGUSLDFKIT-UHFFFAOYSA-N
MW278.12 g/mol
LogP1.98
Rot. Bonds4

About 3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol

3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol (PubChem CID 84714745) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol
PubChem CID84714745
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(Br)c(C(N)CCO)c1F
InChIInChI=1S/C10H13BrFNO2/c1-15-8-3-2-6(11)9(10(8)12)7(13)4-5-14/h2-3,7,14H,4-5,13H2,1H3
InChIKeyWWYHUGUSLDFKIT-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

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Related Compounds

(3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 130804227
3-bromo-2-[(1S)-1,3-diaminopropyl]-6-methoxyphenol
CID 171254249
3-bromo-2-[(1S)-1,3-diaminopropyl]-6-methoxyphenol;hydrochloride
CID 171254250
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171201207
2-[(1S)-1-amino-3-hydroxypropyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253035
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine
CID 171215725
2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol
CID 84776111
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine
CID 171215718
(1S)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine;hydrochloride
CID 171235359
2-amino-2-(6-bromo-2-ethoxy-3-methoxyphenyl)ethanol
CID 117468570
2-(2-fluoro-3,6-dimethoxyphenyl)propan-1-ol
CID 117305436
(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171223240

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol (CID 84714745) is 3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol is COc1ccc(Br)c(C(N)CCO)c1F.
What is the InChIKey of 3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol?
The InChIKey is WWYHUGUSLDFKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-15-8-3-2-6(11)9(10(8)12)7(13)4-5-14/h2-3,7,14H,4-5,13H2,1H3.
What are the key properties of 3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol?
3-amino-3-(6-bromo-2-fluoro-3-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-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 84714745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).