2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine

C11H15BrFNO2 — CID 117471666

IUPAC2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
SMILESCOc1cc(F)c(Br)c(C(C)CN)c1OC
InChIInChI=1S/C11H15BrFNO2/c1-6(5-14)9-10(12)7(13)4-8(15-2)11(9)16-3/h4,6H,5,14H2,1-3H3
InChIKeyOORYTMKJEVLPSP-UHFFFAOYSA-N
MW292.15 g/mol
LogP2.67
Rot. Bonds4

About 2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine

2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine (PubChem CID 117471666) has the molecular formula C11H15BrFNO2 and a molecular weight of 292.15 g/mol. Its IUPAC name is 2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
PubChem CID117471666
Molecular FormulaC11H15BrFNO2
Molecular Weight292.15 g/mol
Exact Mass291.03
IUPAC Name2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
SMILESCOc1cc(F)c(Br)c(C(C)CN)c1OC
InChIInChI=1S/C11H15BrFNO2/c1-6(5-14)9-10(12)7(13)4-8(15-2)11(9)16-3/h4,6H,5,14H2,1-3H3
InChIKeyOORYTMKJEVLPSP-UHFFFAOYSA-N
XLogP2.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)butan-1-amine
CID 117491312
1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol
CID 84714942
2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474365
2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol
CID 117468539
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
CID 117465253
2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
CID 84806984
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290019
2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117333867
4-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)butan-1-amine
CID 117491322
3-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)butanal
CID 117490422
2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902053

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine (CID 117471666) is 2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine is COc1cc(F)c(Br)c(C(C)CN)c1OC.
What is the InChIKey of 2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine?
The InChIKey is OORYTMKJEVLPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2/c1-6(5-14)9-10(12)7(13)4-8(15-2)11(9)16-3/h4,6H,5,14H2,1-3H3.
What are the key properties of 2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine?
2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine has a molecular weight of 292.15 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 117471666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).