2-methyl-3a,7a-dihydro-1-benzofuran-4-amine

C9H11NO — CID 166698337

IUPAC2-methyl-3a,7a-dihydro-1-benzofuran-4-amine
SMILESCC1=CC2C(N)=CC=CC2O1
InChIInChI=1S/C9H11NO/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-5,7,9H,10H2,1H3
InChIKeyXUINNRRMTYGYSA-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.32
Rot. Bonds

About 2-methyl-3a,7a-dihydro-1-benzofuran-4-amine

2-methyl-3a,7a-dihydro-1-benzofuran-4-amine (PubChem CID 166698337) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-methyl-3a,7a-dihydro-1-benzofuran-4-amine.

Molecular Properties

Compound Name2-methyl-3a,7a-dihydro-1-benzofuran-4-amine
PubChem CID166698337
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-methyl-3a,7a-dihydro-1-benzofuran-4-amine
SMILESCC1=CC2C(N)=CC=CC2O1
InChIInChI=1S/C9H11NO/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-5,7,9H,10H2,1H3
InChIKeyXUINNRRMTYGYSA-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3a,7a-dihydro-1-benzofuran-4-amine?
The IUPAC name of 2-methyl-3a,7a-dihydro-1-benzofuran-4-amine (CID 166698337) is 2-methyl-3a,7a-dihydro-1-benzofuran-4-amine.
What is the SMILES notation for 2-methyl-3a,7a-dihydro-1-benzofuran-4-amine?
The canonical SMILES for 2-methyl-3a,7a-dihydro-1-benzofuran-4-amine is CC1=CC2C(N)=CC=CC2O1.
What is the InChIKey of 2-methyl-3a,7a-dihydro-1-benzofuran-4-amine?
The InChIKey is XUINNRRMTYGYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2-5,7,9H,10H2,1H3.
What are the key properties of 2-methyl-3a,7a-dihydro-1-benzofuran-4-amine?
2-methyl-3a,7a-dihydro-1-benzofuran-4-amine has a molecular weight of 149.19 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3a,7a-dihydro-1-benzofuran-4-amine is sourced from PubChem (CID 166698337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).