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

C12H16BrNO — CID 83048942

IUPAC6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2cc(Br)ccc2C1NC
InChIInChI=1S/C12H16BrNO/c1-3-4-10-12(14-2)9-6-5-8(13)7-11(9)15-10/h5-7,10,12,14H,3-4H2,1-2H3
InChIKeyXOCRGAZKQVFRHD-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.27
Rot. Bonds3

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

6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83048942) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83048942
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2cc(Br)ccc2C1NC
InChIInChI=1S/C12H16BrNO/c1-3-4-10-12(14-2)9-6-5-8(13)7-11(9)15-10/h5-7,10,12,14H,3-4H2,1-2H3
InChIKeyXOCRGAZKQVFRHD-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83048942) is 6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2cc(Br)ccc2C1NC.
What is the InChIKey of 6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is XOCRGAZKQVFRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-3-4-10-12(14-2)9-6-5-8(13)7-11(9)15-10/h5-7,10,12,14H,3-4H2,1-2H3.
What are the key properties of 6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 270.17 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83048942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).