2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine

C10H13NO — CID 112711949

IUPAC2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine
SMILESNCCC1=CC2C=COC2C=C1
InChIInChI=1S/C10H13NO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,4,6-7,9-10H,3,5,11H2
InChIKeySGWRDLKFQWOWLN-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.36
Rot. Bonds2

About 2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine

2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 112711949) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID112711949
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine
SMILESNCCC1=CC2C=COC2C=C1
InChIInChI=1S/C10H13NO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,4,6-7,9-10H,3,5,11H2
InChIKeySGWRDLKFQWOWLN-UHFFFAOYSA-N
XLogP1.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine (CID 112711949) is 2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine is NCCC1=CC2C=COC2C=C1.
What is the InChIKey of 2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is SGWRDLKFQWOWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,4,6-7,9-10H,3,5,11H2.
What are the key properties of 2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine?
2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 163.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3a,7a-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 112711949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).