1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine

C15H11BrClNO — CID 105043963

IUPAC1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine
SMILESNC(c1cc2ccccc2o1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H11BrClNO/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8,15H,18H2
InChIKeyMCTIHQIDJKQDCJ-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.90
Rot. Bonds2

About 1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine

1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine (PubChem CID 105043963) has the molecular formula C15H11BrClNO and a molecular weight of 336.62 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine
PubChem CID105043963
Molecular FormulaC15H11BrClNO
Molecular Weight336.62 g/mol
Exact Mass334.97
IUPAC Name1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine
SMILESNC(c1cc2ccccc2o1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H11BrClNO/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8,15H,18H2
InChIKeyMCTIHQIDJKQDCJ-UHFFFAOYSA-N
XLogP4.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzofuran-2-yl-(2,3-dichlorophenyl)methanamine
CID 63091124
1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine
CID 106693169
1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
CID 106762492
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine
CID 63549150
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine
CID 105044197
(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine
CID 82779597
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine
CID 67752088
(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836655
(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 43149597

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine (CID 105043963) is 1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine is NC(c1cc2ccccc2o1)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine?
The InChIKey is MCTIHQIDJKQDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO/c16-10-5-6-12(17)11(8-10)15(18)14-7-9-3-1-2-4-13(9)19-14/h1-8,15H,18H2.
What are the key properties of 1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine?
1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine has a molecular weight of 336.62 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine is sourced from PubChem (CID 105043963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).