1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine

C10H15NO — CID 89245990

IUPAC1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNCC1=CCC2OCCC2=C1
InChIInChI=1S/C10H15NO/c1-11-7-8-2-3-10-9(6-8)4-5-12-10/h2,6,10-11H,3-5,7H2,1H3
InChIKeyRYILOHJWROXYHE-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.25
Rot. Bonds2

About 1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine

1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine (PubChem CID 89245990) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine
PubChem CID89245990
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNCC1=CCC2OCCC2=C1
InChIInChI=1S/C10H15NO/c1-11-7-8-2-3-10-9(6-8)4-5-12-10/h2,6,10-11H,3-5,7H2,1H3
InChIKeyRYILOHJWROXYHE-UHFFFAOYSA-N
XLogP1.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine (CID 89245990) is 1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine is CNCC1=CCC2OCCC2=C1.
What is the InChIKey of 1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine?
The InChIKey is RYILOHJWROXYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11-7-8-2-3-10-9(6-8)4-5-12-10/h2,6,10-11H,3-5,7H2,1H3.
What are the key properties of 1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine?
1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine has a molecular weight of 165.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,7,7a-tetrahydro-1-benzofuran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 89245990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).