1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine

C17H16BrNO2 — CID 63091845

IUPAC1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc3ccccc3o2)cc1Br
InChIInChI=1S/C17H16BrNO2/c1-20-16-7-6-11(8-13(16)18)9-14(19)17-10-12-4-2-3-5-15(12)21-17/h2-8,10,14H,9,19H2,1H3
InChIKeyQAZZYNOWXZPDDM-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.45
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine

1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine (PubChem CID 63091845) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine
PubChem CID63091845
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2cc3ccccc3o2)cc1Br
InChIInChI=1S/C17H16BrNO2/c1-20-16-7-6-11(8-13(16)18)9-14(19)17-10-12-4-2-3-5-15(12)21-17/h2-8,10,14H,9,19H2,1H3
InChIKeyQAZZYNOWXZPDDM-UHFFFAOYSA-N
XLogP4.45
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804312
2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine
CID 107974001
2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran
CID 63542413
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105110930
2-(3-bromo-4-methoxyphenyl)-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 115817818
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-(3-bromo-4-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 54971373
2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105110877
1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
2-amino-3-(3-bromo-4-methoxyphenyl)propanenitrile
CID 102548362
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
2-(3-bromo-4-methoxyphenyl)-1-(oxan-4-yl)ethanamine
CID 65334383

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine (CID 63091845) is 1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine is COc1ccc(CC(N)c2cc3ccccc3o2)cc1Br.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine?
The InChIKey is QAZZYNOWXZPDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-20-16-7-6-11(8-13(16)18)9-14(19)17-10-12-4-2-3-5-15(12)21-17/h2-8,10,14H,9,19H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine?
1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine has a molecular weight of 346.22 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 63091845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).