5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine

C13H19NO — CID 43512181

IUPAC5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC(C)(C)c1ccc2c(c1)C(N)CO2
InChIInChI=1S/C13H19NO/c1-4-13(2,3)9-5-6-12-10(7-9)11(14)8-15-12/h5-7,11H,4,8,14H2,1-3H3
InChIKeyQXUBHARBJJXIMR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.77
Rot. Bonds2

About 5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine

5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512181) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512181
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC(C)(C)c1ccc2c(c1)C(N)CO2
InChIInChI=1S/C13H19NO/c1-4-13(2,3)9-5-6-12-10(7-9)11(14)8-15-12/h5-7,11H,4,8,14H2,1-3H3
InChIKeyQXUBHARBJJXIMR-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine (CID 43512181) is 5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine is CCC(C)(C)c1ccc2c(c1)C(N)CO2.
What is the InChIKey of 5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is QXUBHARBJJXIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-13(2,3)9-5-6-12-10(7-9)11(14)8-15-12/h5-7,11H,4,8,14H2,1-3H3.
What are the key properties of 5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine?
5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 205.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43512181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).