2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine

C11H12BrNO — CID 83900820

IUPAC2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine
SMILESCNCCc1ccc2cc(Br)oc2c1
InChIInChI=1S/C11H12BrNO/c1-13-5-4-8-2-3-9-7-11(12)14-10(9)6-8/h2-3,6-7,13H,4-5H2,1H3
InChIKeyJPFAUHVBIDGMGD-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.96
Rot. Bonds3

About 2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine

2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine (PubChem CID 83900820) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine
PubChem CID83900820
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine
SMILESCNCCc1ccc2cc(Br)oc2c1
InChIInChI=1S/C11H12BrNO/c1-13-5-4-8-2-3-9-7-11(12)14-10(9)6-8/h2-3,6-7,13H,4-5H2,1H3
InChIKeyJPFAUHVBIDGMGD-UHFFFAOYSA-N
XLogP2.96
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-ethyl-1-benzofuran-2-yl)-N-methylethanamine
CID 126619868
2-(1-benzofuran-5-yl)-N-methylethanamine
CID 168924293
3-(2-bromo-1-benzofuran-6-yl)-2-methylpropan-1-amine
CID 83902804
2-(2-bromo-1-benzofuran-5-yl)ethanamine
CID 83898777
N-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]methanediamine
CID 115227219
1-(2-bromo-1-benzofuran-6-yl)ethanone
CID 83898344
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
1-[6-[2-(4-ethoxyphenyl)ethyl]-1-benzofuran-2-yl]-N-methylethanamine
CID 143982625
2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 117455100
2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine
CID 83902666
methyl 2-(2-bromo-1-benzofuran-5-yl)acetate
CID 71247269
2-[3-bromo-4-(1,2,4-triazol-1-yl)phenyl]-N-methylethanamine
CID 117451108

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine (CID 83900820) is 2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine is CNCCc1ccc2cc(Br)oc2c1.
What is the InChIKey of 2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine?
The InChIKey is JPFAUHVBIDGMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-13-5-4-8-2-3-9-7-11(12)14-10(9)6-8/h2-3,6-7,13H,4-5H2,1H3.
What are the key properties of 2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine?
2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine has a molecular weight of 254.13 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-1-benzofuran-6-yl)-N-methylethanamine is sourced from PubChem (CID 83900820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).