(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine

C15H10Br2ClNO — CID 82779597

IUPAC(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine
SMILESNC(c1cc2cccc(Br)c2o1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H10Br2ClNO/c16-9-4-5-10(12(18)7-9)14(19)13-6-8-2-1-3-11(17)15(8)20-13/h1-7,14H,19H2
InChIKeyZQEDNGYWIMCCGK-UHFFFAOYSA-N
MW415.51 g/mol
LogP5.66
Rot. Bonds2

About (7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine

(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine (PubChem CID 82779597) has the molecular formula C15H10Br2ClNO and a molecular weight of 415.51 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine
PubChem CID82779597
Molecular FormulaC15H10Br2ClNO
Molecular Weight415.51 g/mol
Exact Mass412.88
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine
SMILESNC(c1cc2cccc(Br)c2o1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H10Br2ClNO/c16-9-4-5-10(12(18)7-9)14(19)13-6-8-2-1-3-11(17)15(8)20-13/h1-7,14H,19H2
InChIKeyZQEDNGYWIMCCGK-UHFFFAOYSA-N
XLogP5.66
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine
CID 63549150
(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 105173757
(7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105146562
(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
CID 61391264
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 106858732
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 115957488
1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)ethanol
CID 105126626
1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine
CID 105043963
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105174877
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
(4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853064
[(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methyl]hydrazine
CID 105301983

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine (CID 82779597) is (7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine is NC(c1cc2cccc(Br)c2o1)c1ccc(Br)cc1Cl.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine?
The InChIKey is ZQEDNGYWIMCCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClNO/c16-9-4-5-10(12(18)7-9)14(19)13-6-8-2-1-3-11(17)15(8)20-13/h1-7,14H,19H2.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine?
(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine has a molecular weight of 415.51 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine is sourced from PubChem (CID 82779597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).