3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine

C12H16BrNO2 — CID 117461046

IUPAC3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
SMILESCOc1cc(CCCN)c(Br)c2c1OCC2
InChIInChI=1S/C12H16BrNO2/c1-15-10-7-8(3-2-5-14)11(13)9-4-6-16-12(9)10/h7H,2-6,14H2,1H3
InChIKeyQDOVJFCJXDFCDF-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.28
Rot. Bonds4

About 3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine

3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine (PubChem CID 117461046) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
PubChem CID117461046
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
SMILESCOc1cc(CCCN)c(Br)c2c1OCC2
InChIInChI=1S/C12H16BrNO2/c1-15-10-7-8(3-2-5-14)11(13)9-4-6-16-12(9)10/h7H,2-6,14H2,1H3
InChIKeyQDOVJFCJXDFCDF-UHFFFAOYSA-N
XLogP2.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 117434905
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propanal
CID 117458946
3-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 117358684
3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117319788
4-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 117429741
(7-methoxy-2,3-dihydro-1-benzofuran-4-yl)methanamine
CID 84767883
(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 117305849
3-(4-bromo-7-methoxy-1-benzofuran-5-yl)propan-1-amine
CID 117456968
2-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 117484849
3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
CID 19611649
2-(3-aminopropyl)-4-bromo-5-methoxyphenol
CID 117403912
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)pyrrolidine
CID 117480079

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The IUPAC name of 3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine (CID 117461046) is 3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine.
What is the SMILES notation for 3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The canonical SMILES for 3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine is COc1cc(CCCN)c(Br)c2c1OCC2.
What is the InChIKey of 3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
The InChIKey is QDOVJFCJXDFCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-15-10-7-8(3-2-5-14)11(13)9-4-6-16-12(9)10/h7H,2-6,14H2,1H3.
What are the key properties of 3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine?
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine has a molecular weight of 286.17 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine is sourced from PubChem (CID 117461046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).