1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine

C11H10BrCl2NO — CID 107662995

IUPAC1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1oc2c(Cl)cc(Br)c(Cl)c2c1C
InChIInChI=1S/C11H10BrCl2NO/c1-5-8(4-15-2)16-11-7(13)3-6(12)10(14)9(5)11/h3,15H,4H2,1-2H3
InChIKeyCIXOHMXRJKIBLT-UHFFFAOYSA-N
MW323.02 g/mol
LogP4.53
Rot. Bonds2

About 1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine

1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 107662995) has the molecular formula C11H10BrCl2NO and a molecular weight of 323.02 g/mol. Its IUPAC name is 1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID107662995
Molecular FormulaC11H10BrCl2NO
Molecular Weight323.02 g/mol
Exact Mass320.93
IUPAC Name1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1oc2c(Cl)cc(Br)c(Cl)c2c1C
InChIInChI=1S/C11H10BrCl2NO/c1-5-8(4-15-2)16-11-7(13)3-6(12)10(14)9(5)11/h3,15H,4H2,1-2H3
InChIKeyCIXOHMXRJKIBLT-UHFFFAOYSA-N
XLogP4.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.02
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(4,5,7-trichloro-3-ethyl-1-benzofuran-2-yl)methanamine
CID 104842865
N-[(5-bromo-4,7-dichloro-3-propyl-1-benzofuran-2-yl)methyl]ethanamine
CID 107662964
N-[(5-bromo-4,7-dichloro-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107662972
N-[(5-bromo-4,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 107662996
N-[(5-bromo-4,7-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107662984
1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 102990740
1-(7-bromo-5-chloro-3-cyclopropyl-4-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 114042910
N-[[5-bromo-4,7-dichloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 107662994
1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843076
1-(5-bromo-3-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 83904250
1-(4,7-dichloro-3-propyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 114376423
N-[(4-bromo-6,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 107102905

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine (CID 107662995) is 1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine is CNCc1oc2c(Cl)cc(Br)c(Cl)c2c1C.
What is the InChIKey of 1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is CIXOHMXRJKIBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2NO/c1-5-8(4-15-2)16-11-7(13)3-6(12)10(14)9(5)11/h3,15H,4H2,1-2H3.
What are the key properties of 1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine?
1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 323.02 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4,7-dichloro-3-methyl-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 107662995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).