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

C15H13BrFNO — CID 43248351

IUPAC(3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNC(c1cc(F)cc(Br)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H13BrFNO/c16-12-6-11(7-13(17)8-12)15(18)10-1-2-14-9(5-10)3-4-19-14/h1-2,5-8,15H,3-4,18H2
InChIKeyZCKQCIXOGBGYCM-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.57
Rot. Bonds2

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

(3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 43248351) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID43248351
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name(3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESNC(c1cc(F)cc(Br)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H13BrFNO/c16-12-6-11(7-13(17)8-12)15(18)10-1-2-14-9(5-10)3-4-19-14/h1-2,5-8,15H,3-4,18H2
InChIKeyZCKQCIXOGBGYCM-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of (3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 43248351) is (3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine is NC(c1cc(F)cc(Br)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is ZCKQCIXOGBGYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c16-12-6-11(7-13(17)8-12)15(18)10-1-2-14-9(5-10)3-4-19-14/h1-2,5-8,15H,3-4,18H2.
What are the key properties of (3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine?
(3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 322.18 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 43248351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).