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

C16H13BrFNO — CID 43149743

IUPAC(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-fluorophenyl)methanamine
SMILESCc1c(C(N)c2cccc(F)c2)oc2ccc(Br)cc12
InChIInChI=1S/C16H13BrFNO/c1-9-13-8-11(17)5-6-14(13)20-16(9)15(19)10-3-2-4-12(18)7-10/h2-8,15H,19H2,1H3
InChIKeyYVNQPGAKPUZTLD-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.69
Rot. Bonds2

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

(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-fluorophenyl)methanamine (PubChem CID 43149743) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-fluorophenyl)methanamine
PubChem CID43149743
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-fluorophenyl)methanamine
SMILESCc1c(C(N)c2cccc(F)c2)oc2ccc(Br)cc12
InChIInChI=1S/C16H13BrFNO/c1-9-13-8-11(17)5-6-14(13)20-16(9)15(19)10-3-2-4-12(18)7-10/h2-8,15H,19H2,1H3
InChIKeyYVNQPGAKPUZTLD-UHFFFAOYSA-N
XLogP4.69
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-fluorophenyl)methanamine?
The IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-fluorophenyl)methanamine (CID 43149743) is (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-fluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-fluorophenyl)methanamine?
The canonical SMILES for (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-fluorophenyl)methanamine is Cc1c(C(N)c2cccc(F)c2)oc2ccc(Br)cc12.
What is the InChIKey of (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-fluorophenyl)methanamine?
The InChIKey is YVNQPGAKPUZTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c1-9-13-8-11(17)5-6-14(13)20-16(9)15(19)10-3-2-4-12(18)7-10/h2-8,15H,19H2,1H3.
What are the key properties of (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-fluorophenyl)methanamine?
(5-bromo-3-methyl-1-benzofuran-2-yl)-(3-fluorophenyl)methanamine has a molecular weight of 334.19 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-1-benzofuran-2-yl)-(3-fluorophenyl)methanamine is sourced from PubChem (CID 43149743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).