1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine

C11H12BrNO2 — CID 105165713

IUPAC1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
SMILESCOCC(N)c1cc2cccc(Br)c2o1
InChIInChI=1S/C11H12BrNO2/c1-14-6-9(13)10-5-7-3-2-4-8(12)11(7)15-10/h2-5,9H,6,13H2,1H3
InChIKeyDUWQDMUWUJJUFV-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.84
Rot. Bonds3

About 1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine

1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine (PubChem CID 105165713) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
PubChem CID105165713
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
SMILESCOCC(N)c1cc2cccc(Br)c2o1
InChIInChI=1S/C11H12BrNO2/c1-14-6-9(13)10-5-7-3-2-4-8(12)11(7)15-10/h2-5,9H,6,13H2,1H3
InChIKeyDUWQDMUWUJJUFV-UHFFFAOYSA-N
XLogP2.84
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine
CID 105094359
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 105190303
(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
CID 61391264
2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid
CID 82625533
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105174877
1-(2,3-dibromophenyl)-2-methoxyethanamine
CID 130043522
1-(7-bromo-1-benzofuran-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064475
1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043411
1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438582
[1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropyl]hydrazine
CID 105305275
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine (CID 105165713) is 1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine is COCC(N)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine?
The InChIKey is DUWQDMUWUJJUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-14-6-9(13)10-5-7-3-2-4-8(12)11(7)15-10/h2-5,9H,6,13H2,1H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine?
1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine has a molecular weight of 270.13 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine is sourced from PubChem (CID 105165713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).