(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine

C16H12BrCl2NO — CID 102949457

IUPAC(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine
SMILESCc1c(C(N)c2ccc(Cl)cc2Cl)oc2cc(Br)ccc12
InChIInChI=1S/C16H12BrCl2NO/c1-8-11-4-2-9(17)6-14(11)21-16(8)15(20)12-5-3-10(18)7-13(12)19/h2-7,15H,20H2,1H3
InChIKeyWMUWUWRJGVWLHU-UHFFFAOYSA-N
MW385.09 g/mol
LogP5.86
Rot. Bonds2

About (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine

(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine (PubChem CID 102949457) has the molecular formula C16H12BrCl2NO and a molecular weight of 385.09 g/mol. Its IUPAC name is (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine
PubChem CID102949457
Molecular FormulaC16H12BrCl2NO
Molecular Weight385.09 g/mol
Exact Mass382.95
IUPAC Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine
SMILESCc1c(C(N)c2ccc(Cl)cc2Cl)oc2cc(Br)ccc12
InChIInChI=1S/C16H12BrCl2NO/c1-8-11-4-2-9(17)6-14(11)21-16(8)15(20)12-5-3-10(18)7-13(12)19/h2-7,15H,20H2,1H3
InChIKeyWMUWUWRJGVWLHU-UHFFFAOYSA-N
XLogP5.86
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.09
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 102949424
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine
CID 102949449
(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 65307651
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine
CID 43149723
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine
CID 43149738
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 62073399
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 62073231
(6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 102949445
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine
CID 102949451
[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine
CID 107332709
(2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 107981990
(5-bromothiophen-2-yl)-(5-chloro-3-methyl-1-benzofuran-2-yl)methanamine
CID 62072900

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine?
The IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine (CID 102949457) is (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine.
What is the SMILES notation for (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine?
The canonical SMILES for (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine is Cc1c(C(N)c2ccc(Cl)cc2Cl)oc2cc(Br)ccc12.
What is the InChIKey of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine?
The InChIKey is WMUWUWRJGVWLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrCl2NO/c1-8-11-4-2-9(17)6-14(11)21-16(8)15(20)12-5-3-10(18)7-13(12)19/h2-7,15H,20H2,1H3.
What are the key properties of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine?
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine has a molecular weight of 385.09 g/mol, XLogP of 5.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine is sourced from PubChem (CID 102949457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).