6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine

C12H16BrNO — CID 155819969

IUPAC6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)CNC1COc2cc(Br)ccc21
InChIInChI=1S/C12H16BrNO/c1-8(2)6-14-11-7-15-12-5-9(13)3-4-10(11)12/h3-5,8,11,14H,6-7H2,1-2H3
InChIKeyMDTOFMHNYAVKAT-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.13
Rot. Bonds3

About 6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine

6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 155819969) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID155819969
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCC(C)CNC1COc2cc(Br)ccc21
InChIInChI=1S/C12H16BrNO/c1-8(2)6-14-11-7-15-12-5-9(13)3-4-10(11)12/h3-5,8,11,14H,6-7H2,1-2H3
InChIKeyMDTOFMHNYAVKAT-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine (CID 155819969) is 6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine is CC(C)CNC1COc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is MDTOFMHNYAVKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8(2)6-14-11-7-15-12-5-9(13)3-4-10(11)12/h3-5,8,11,14H,6-7H2,1-2H3.
What are the key properties of 6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine?
6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 270.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 155819969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).