1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine

C10H13NO — CID 163490790

IUPAC1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNCC1=CC=C2OC=CC2C1
InChIInChI=1S/C10H13NO/c1-11-7-8-2-3-10-9(6-8)4-5-12-10/h2-5,9,11H,6-7H2,1H3
InChIKeyCMKZLDBRMYDZHO-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.58
Rot. Bonds2

About 1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine

1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine (PubChem CID 163490790) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
PubChem CID163490790
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNCC1=CC=C2OC=CC2C1
InChIInChI=1S/C10H13NO/c1-11-7-8-2-3-10-9(6-8)4-5-12-10/h2-5,9,11H,6-7H2,1H3
InChIKeyCMKZLDBRMYDZHO-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine (CID 163490790) is 1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine is CNCC1=CC=C2OC=CC2C1.
What is the InChIKey of 1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
The InChIKey is CMKZLDBRMYDZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-11-7-8-2-3-10-9(6-8)4-5-12-10/h2-5,9,11H,6-7H2,1H3.
What are the key properties of 1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine has a molecular weight of 163.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3a,4-dihydro-1-benzofuran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 163490790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).