(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine

C15H10BrCl2NO — CID 63549150

IUPAC(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine
SMILESNC(c1cc2cccc(Br)c2o1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10BrCl2NO/c16-11-3-1-2-8-6-13(20-15(8)11)14(19)10-7-9(17)4-5-12(10)18/h1-7,14H,19H2
InChIKeyYOOQLZUXPNIQPC-UHFFFAOYSA-N
MW371.06 g/mol
LogP5.55
Rot. Bonds2

About (7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine

(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine (PubChem CID 63549150) has the molecular formula C15H10BrCl2NO and a molecular weight of 371.06 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine
PubChem CID63549150
Molecular FormulaC15H10BrCl2NO
Molecular Weight371.06 g/mol
Exact Mass368.93
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine
SMILESNC(c1cc2cccc(Br)c2o1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10BrCl2NO/c16-11-3-1-2-8-6-13(20-15(8)11)14(19)10-7-9(17)4-5-12(10)18/h1-7,14H,19H2
InChIKeyYOOQLZUXPNIQPC-UHFFFAOYSA-N
XLogP5.55
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.06
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 105173757
[(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methyl]hydrazine
CID 105301983
(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine
CID 82779597
(7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105146562
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
CID 61391264
1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043411
1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 105100365
1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine
CID 105043963
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 115957488
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105174877

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine (CID 63549150) is (7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine is NC(c1cc2cccc(Br)c2o1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine?
The InChIKey is YOOQLZUXPNIQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2NO/c16-11-3-1-2-8-6-13(20-15(8)11)14(19)10-7-9(17)4-5-12(10)18/h1-7,14H,19H2.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine?
(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine has a molecular weight of 371.06 g/mol, XLogP of 5.55, 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)-(2,5-dichlorophenyl)methanamine is sourced from PubChem (CID 63549150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).