(E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine

C15H20BrNO2 — CID 103392084

IUPAC(E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine
SMILESCOC/C(=C/c1cc(Br)cc2c1OCC2)CCCN
InChIInChI=1S/C15H20BrNO2/c1-18-10-11(3-2-5-17)7-13-9-14(16)8-12-4-6-19-15(12)13/h7-9H,2-6,10,17H2,1H3/b11-7+
InChIKeyYUQQOOMSFXRYKK-YRNVUSSQSA-N
MW326.23 g/mol
LogP3.15
Rot. Bonds6

About (E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine

(E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine (PubChem CID 103392084) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine.

Molecular Properties

Compound Name(E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine
PubChem CID103392084
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine
SMILESCOC/C(=C/c1cc(Br)cc2c1OCC2)CCCN
InChIInChI=1S/C15H20BrNO2/c1-18-10-11(3-2-5-17)7-13-9-14(16)8-12-4-6-19-15(12)13/h7-9H,2-6,10,17H2,1H3/b11-7+
InChIKeyYUQQOOMSFXRYKK-YRNVUSSQSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine
CID 117388100
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-(2-methoxyethoxy)propan-2-one
CID 114032554
3-amino-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-methoxybutan-2-one
CID 116594227
ethyl 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetate
CID 117484723
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-methoxy-4-methylpentan-2-one
CID 105126745
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-ethyl-3-methoxypentan-2-one
CID 116747601
methyl 4-amino-4-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylbutanoate
CID 104541955
3-amino-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]propane-1-sulfonamide
CID 104702307
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
(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
CID 104545355
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methoxycyclohexyl)ethanone
CID 116748158

Frequently Asked Questions

What is the IUPAC name of (E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine?
The IUPAC name of (E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine (CID 103392084) is (E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine.
What is the SMILES notation for (E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine?
The canonical SMILES for (E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine is COC/C(=C/c1cc(Br)cc2c1OCC2)CCCN.
What is the InChIKey of (E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine?
The InChIKey is YUQQOOMSFXRYKK-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-18-10-11(3-2-5-17)7-13-9-14(16)8-12-4-6-19-15(12)13/h7-9H,2-6,10,17H2,1H3/b11-7+.
What are the key properties of (E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine?
(E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine has a molecular weight of 326.23 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-(methoxymethyl)pent-4-en-1-amine is sourced from PubChem (CID 103392084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).