6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine

C12H15BrFNO — CID 83233982

IUPAC6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(F)c(Br)cc2OC1C
InChIInChI=1S/C12H15BrFNO/c1-3-4-15-12-7(2)16-11-6-9(13)10(14)5-8(11)12/h5-7,12,15H,3-4H2,1-2H3
InChIKeySWGCGJYAVPPVAH-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.41
Rot. Bonds3

About 6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine

6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83233982) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83233982
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCNC1c2cc(F)c(Br)cc2OC1C
InChIInChI=1S/C12H15BrFNO/c1-3-4-15-12-7(2)16-11-6-9(13)10(14)5-8(11)12/h5-7,12,15H,3-4H2,1-2H3
InChIKeySWGCGJYAVPPVAH-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83233982) is 6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCNC1c2cc(F)c(Br)cc2OC1C.
What is the InChIKey of 6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is SWGCGJYAVPPVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-3-4-15-12-7(2)16-11-6-9(13)10(14)5-8(11)12/h5-7,12,15H,3-4H2,1-2H3.
What are the key properties of 6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine?
6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 288.16 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-2-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83233982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).