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

C15H11BrClNO — CID 43149597

IUPAC(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H11BrClNO/c16-11-3-6-13-10(7-11)8-14(19-13)15(18)9-1-4-12(17)5-2-9/h1-8,15H,18H2
InChIKeyCTXIXGGZEGAYNU-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.90
Rot. Bonds2

About (5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine

(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine (PubChem CID 43149597) has the molecular formula C15H11BrClNO and a molecular weight of 336.62 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
PubChem CID43149597
Molecular FormulaC15H11BrClNO
Molecular Weight336.62 g/mol
Exact Mass334.97
IUPAC Name(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H11BrClNO/c16-11-3-6-13-10(7-11)8-14(19-13)15(18)9-1-4-12(17)5-2-9/h1-8,15H,18H2
InChIKeyCTXIXGGZEGAYNU-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

(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine
CID 43826525
(4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine
CID 43826510
(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114728550
(5-bromo-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
CID 43149588
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
(4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine
CID 114321349
(1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine
CID 130713073
(4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 114321372
(5-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-3-yl)methanamine
CID 114082945
(5-bromo-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43149570

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine (CID 43149597) is (5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine is NC(c1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine?
The InChIKey is CTXIXGGZEGAYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO/c16-11-3-6-13-10(7-11)8-14(19-13)15(18)9-1-4-12(17)5-2-9/h1-8,15H,18H2.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine?
(5-bromo-1-benzofuran-2-yl)-(4-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 (5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine is sourced from PubChem (CID 43149597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).