5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C12H15BrFNO — CID 83048927

IUPAC5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(F)cc(Br)cc2C1NC
InChIInChI=1S/C12H15BrFNO/c1-3-4-10-11(15-2)8-5-7(13)6-9(14)12(8)16-10/h5-6,10-11,15H,3-4H2,1-2H3
InChIKeyVMIQUWOHAAWVBL-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.41
Rot. Bonds3

About 5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83048927) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83048927
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(F)cc(Br)cc2C1NC
InChIInChI=1S/C12H15BrFNO/c1-3-4-10-11(15-2)8-5-7(13)6-9(14)12(8)16-10/h5-6,10-11,15H,3-4H2,1-2H3
InChIKeyVMIQUWOHAAWVBL-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 5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83048927) is 5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2c(F)cc(Br)cc2C1NC.
What is the InChIKey of 5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is VMIQUWOHAAWVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-3-4-10-11(15-2)8-5-7(13)6-9(14)12(8)16-10/h5-6,10-11,15H,3-4H2,1-2H3.
What are the key properties of 5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
5-bromo-7-fluoro-N-methyl-2-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 5-bromo-7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83048927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).