1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine

C11H17NO — CID 112714578

IUPAC1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine
SMILESCC(N)C1c2occc2CCC1C
InChIInChI=1S/C11H17NO/c1-7-3-4-9-5-6-13-11(9)10(7)8(2)12/h5-8,10H,3-4,12H2,1-2H3
InChIKeyZAYMINLKNHXJNK-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.29
Rot. Bonds1

About 1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine

1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine (PubChem CID 112714578) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine.

Molecular Properties

Compound Name1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine
PubChem CID112714578
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine
SMILESCC(N)C1c2occc2CCC1C
InChIInChI=1S/C11H17NO/c1-7-3-4-9-5-6-13-11(9)10(7)8(2)12/h5-8,10H,3-4,12H2,1-2H3
InChIKeyZAYMINLKNHXJNK-UHFFFAOYSA-N
XLogP2.29
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine?
The IUPAC name of 1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine (CID 112714578) is 1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine.
What is the SMILES notation for 1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine?
The canonical SMILES for 1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine is CC(N)C1c2occc2CCC1C.
What is the InChIKey of 1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine?
The InChIKey is ZAYMINLKNHXJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-3-4-9-5-6-13-11(9)10(7)8(2)12/h5-8,10H,3-4,12H2,1-2H3.
What are the key properties of 1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine?
1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine has a molecular weight of 179.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine is sourced from PubChem (CID 112714578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).