2-butyl-5,6-dihydro-1-benzofuran-5-amine

C12H17NO — CID 123816047

IUPAC2-butyl-5,6-dihydro-1-benzofuran-5-amine
SMILESCCCCc1cc2c(o1)=CCC(N)C=2
InChIInChI=1S/C12H17NO/c1-2-3-4-11-8-9-7-10(13)5-6-12(9)14-11/h6-8,10H,2-5,13H2,1H3
InChIKeyZUIJIOIDFUSHIC-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.91
Rot. Bonds3

About 2-butyl-5,6-dihydro-1-benzofuran-5-amine

2-butyl-5,6-dihydro-1-benzofuran-5-amine (PubChem CID 123816047) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-butyl-5,6-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-butyl-5,6-dihydro-1-benzofuran-5-amine
PubChem CID123816047
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-butyl-5,6-dihydro-1-benzofuran-5-amine
SMILESCCCCc1cc2c(o1)=CCC(N)C=2
InChIInChI=1S/C12H17NO/c1-2-3-4-11-8-9-7-10(13)5-6-12(9)14-11/h6-8,10H,2-5,13H2,1H3
InChIKeyZUIJIOIDFUSHIC-UHFFFAOYSA-N
XLogP0.91
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,6-dihydro-1-benzofuran-5-amine?
The IUPAC name of 2-butyl-5,6-dihydro-1-benzofuran-5-amine (CID 123816047) is 2-butyl-5,6-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for 2-butyl-5,6-dihydro-1-benzofuran-5-amine?
The canonical SMILES for 2-butyl-5,6-dihydro-1-benzofuran-5-amine is CCCCc1cc2c(o1)=CCC(N)C=2.
What is the InChIKey of 2-butyl-5,6-dihydro-1-benzofuran-5-amine?
The InChIKey is ZUIJIOIDFUSHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-3-4-11-8-9-7-10(13)5-6-12(9)14-11/h6-8,10H,2-5,13H2,1H3.
What are the key properties of 2-butyl-5,6-dihydro-1-benzofuran-5-amine?
2-butyl-5,6-dihydro-1-benzofuran-5-amine has a molecular weight of 191.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,6-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 123816047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).