1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine

C10H10BrNO — CID 84800316

IUPAC1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1oc2ccccc2c1Br
InChIInChI=1S/C10H10BrNO/c1-12-6-9-10(11)7-4-2-3-5-8(7)13-9/h2-5,12H,6H2,1H3
InChIKeyFMEFABULKOIYLM-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.91
Rot. Bonds2

About 1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine

1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 84800316) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID84800316
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1oc2ccccc2c1Br
InChIInChI=1S/C10H10BrNO/c1-12-6-9-10(11)7-4-2-3-5-8(7)13-9/h2-5,12H,6H2,1H3
InChIKeyFMEFABULKOIYLM-UHFFFAOYSA-N
XLogP2.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-1-benzofuran-2-yl)-2-methylpropan-2-amine
CID 84808251
3-bromo-2-heptyl-1-benzofuran
CID 11843101
3-bromo-2-octyl-1-benzofuran
CID 102256130
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine
CID 62438010
N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62437372
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine
CID 62433002
1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 83904250
1-[2-(3,3-dimethylbutoxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 66227085
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895
1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
CID 62423940
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62421073

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine (CID 84800316) is 1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine is CNCc1oc2ccccc2c1Br.
What is the InChIKey of 1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is FMEFABULKOIYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-12-6-9-10(11)7-4-2-3-5-8(7)13-9/h2-5,12H,6H2,1H3.
What are the key properties of 1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine?
1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 240.10 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84800316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).