(5-bromo-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methanamine

C15H10BrClFNO — CID 43149601

IUPAC(5-bromo-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)c(Cl)c1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H10BrClFNO/c16-10-2-4-13-9(5-10)7-14(20-13)15(19)8-1-3-12(18)11(17)6-8/h1-7,15H,19H2
InChIKeyPOAVMCBQIUJTRE-UHFFFAOYSA-N
MW354.61 g/mol
LogP5.04
Rot. Bonds2

About (5-bromo-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methanamine

(5-bromo-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methanamine (PubChem CID 43149601) has the molecular formula C15H10BrClFNO and a molecular weight of 354.61 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methanamine
PubChem CID43149601
Molecular FormulaC15H10BrClFNO
Molecular Weight354.61 g/mol
Exact Mass352.96
IUPAC Name(5-bromo-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)c(Cl)c1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H10BrClFNO/c16-10-2-4-13-9(5-10)7-14(20-13)15(19)8-1-3-12(18)11(17)6-8/h1-7,15H,19H2
InChIKeyPOAVMCBQIUJTRE-UHFFFAOYSA-N
XLogP5.04
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methanamine?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methanamine (CID 43149601) is (5-bromo-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methanamine?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methanamine is NC(c1ccc(F)c(Cl)c1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methanamine?
The InChIKey is POAVMCBQIUJTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFNO/c16-10-2-4-13-9(5-10)7-14(20-13)15(19)8-1-3-12(18)11(17)6-8/h1-7,15H,19H2.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methanamine?
(5-bromo-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methanamine has a molecular weight of 354.61 g/mol, XLogP of 5.04, 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)-(3-chloro-4-fluorophenyl)methanamine is sourced from PubChem (CID 43149601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).