(E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine

C11H12BrNO — CID 117388100

IUPAC(E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine
SMILESNC/C=C/c1cc(Br)cc2c1OCC2
InChIInChI=1S/C11H12BrNO/c12-10-6-8(2-1-4-13)11-9(7-10)3-5-14-11/h1-2,6-7H,3-5,13H2/b2-1+
InChIKeyCXAAGYZRJOULCZ-OWOJBTEDSA-N
MW254.13 g/mol
LogP2.36
Rot. Bonds2

About (E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine

(E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine (PubChem CID 117388100) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is (E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine
PubChem CID117388100
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name(E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine
SMILESNC/C=C/c1cc(Br)cc2c1OCC2
InChIInChI=1S/C11H12BrNO/c12-10-6-8(2-1-4-13)11-9(7-10)3-5-14-11/h1-2,6-7H,3-5,13H2/b2-1+
InChIKeyCXAAGYZRJOULCZ-OWOJBTEDSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(6-bromo-1,3-benzodioxol-4-yl)prop-2-en-1-amine
CID 117393186
4-[(E)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethenyl]-1,3-thiazol-2-amine
CID 113425009
(E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine
CID 103392084
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-2-amine
CID 113403543
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine
CID 117495214
(E)-3-(5-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
CID 117352410
2-(3-aminoprop-1-enyl)-4,6-dibromophenol
CID 169464646
(E)-3-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine
CID 117283537
5-bromo-7-(1-bromo-2-cyclobutylethyl)-2,3-dihydro-1-benzofuran
CID 103166030
3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopropylpropan-1-amine
CID 113403380
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine
CID 104541441
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine
CID 105269841

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine (CID 117388100) is (E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine is NC/C=C/c1cc(Br)cc2c1OCC2.
What is the InChIKey of (E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine?
The InChIKey is CXAAGYZRJOULCZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-10-6-8(2-1-4-13)11-9(7-10)3-5-14-11/h1-2,6-7H,3-5,13H2/b2-1+.
What are the key properties of (E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine?
(E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine has a molecular weight of 254.13 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine is sourced from PubChem (CID 117388100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).