4-methyl-2,3-dihydro-1-benzofuran-5-amine

C9H11NO — CID 82373057

IUPAC4-methyl-2,3-dihydro-1-benzofuran-5-amine
SMILESCc1c(N)ccc2c1CCO2
InChIInChI=1S/C9H11NO/c1-6-7-4-5-11-9(7)3-2-8(6)10/h2-3H,4-5,10H2,1H3
InChIKeyYEVAAXDPIBKLKS-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.51
Rot. Bonds

About 4-methyl-2,3-dihydro-1-benzofuran-5-amine

4-methyl-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 82373057) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1-benzofuran-5-amine
PubChem CID82373057
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-methyl-2,3-dihydro-1-benzofuran-5-amine
SMILESCc1c(N)ccc2c1CCO2
InChIInChI=1S/C9H11NO/c1-6-7-4-5-11-9(7)3-2-8(6)10/h2-3H,4-5,10H2,1H3
InChIKeyYEVAAXDPIBKLKS-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of 4-methyl-2,3-dihydro-1-benzofuran-5-amine (CID 82373057) is 4-methyl-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for 4-methyl-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for 4-methyl-2,3-dihydro-1-benzofuran-5-amine is Cc1c(N)ccc2c1CCO2.
What is the InChIKey of 4-methyl-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is YEVAAXDPIBKLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-7-4-5-11-9(7)3-2-8(6)10/h2-3H,4-5,10H2,1H3.
What are the key properties of 4-methyl-2,3-dihydro-1-benzofuran-5-amine?
4-methyl-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 149.19 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 82373057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).