1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine

C10H9BrClNO — CID 83904250

IUPAC1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1oc2ccc(Br)cc2c1Cl
InChIInChI=1S/C10H9BrClNO/c1-13-5-9-10(12)7-4-6(11)2-3-8(7)14-9/h2-4,13H,5H2,1H3
InChIKeyDDVAVSYMUKJLBX-UHFFFAOYSA-N
MW274.55 g/mol
LogP3.57
Rot. Bonds2

About 1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine

1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 83904250) has the molecular formula C10H9BrClNO and a molecular weight of 274.55 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID83904250
Molecular FormulaC10H9BrClNO
Molecular Weight274.55 g/mol
Exact Mass272.96
IUPAC Name1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1oc2ccc(Br)cc2c1Cl
InChIInChI=1S/C10H9BrClNO/c1-13-5-9-10(12)7-4-6(11)2-3-8(7)14-9/h2-4,13H,5H2,1H3
InChIKeyDDVAVSYMUKJLBX-UHFFFAOYSA-N
XLogP3.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-1-benzofuran-2-yl)-N-methylmethanamine
CID 84800316
N-[[5-bromo-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376858
6-bromo-4-chloro-2-oxochromene-3-carbaldehyde
CID 4649129
(5-bromo-3-tert-butyl-1-benzofuran-2-yl)methanamine
CID 62379957
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
1-(5-bromo-3-methyl-1-benzofuran-2-yl)-3-chloropropan-2-one
CID 82264333
1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 107662995
1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842839
1-(5-bromo-3-methyl-1-benzofuran-2-yl)propan-2-one
CID 82264330
1-(5-bromo-3-ethyl-7-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843160
1-(5-tert-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459838
1-(5-bromo-3-methyl-1-benzofuran-2-yl)-3-chlorobutan-2-one
CID 82264336

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine (CID 83904250) is 1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine is CNCc1oc2ccc(Br)cc2c1Cl.
What is the InChIKey of 1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is DDVAVSYMUKJLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO/c1-13-5-9-10(12)7-4-6(11)2-3-8(7)14-9/h2-4,13H,5H2,1H3.
What are the key properties of 1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine?
1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 274.55 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 83904250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).