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

C9H11NO — CID 23544376

IUPACN-methyl-1,3-dihydro-2-benzofuran-5-amine
SMILESCNc1ccc2c(c1)COC2
InChIInChI=1S/C9H11NO/c1-10-9-3-2-7-5-11-6-8(7)4-9/h2-4,10H,5-6H2,1H3
InChIKeyWEPMVUOEJTVTGC-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.76
Rot. Bonds1

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

N-methyl-1,3-dihydro-2-benzofuran-5-amine (PubChem CID 23544376) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is N-methyl-1,3-dihydro-2-benzofuran-5-amine.

Molecular Properties

Compound NameN-methyl-1,3-dihydro-2-benzofuran-5-amine
PubChem CID23544376
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC NameN-methyl-1,3-dihydro-2-benzofuran-5-amine
SMILESCNc1ccc2c(c1)COC2
InChIInChI=1S/C9H11NO/c1-10-9-3-2-7-5-11-6-8(7)4-9/h2-4,10H,5-6H2,1H3
InChIKeyWEPMVUOEJTVTGC-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1,3-dihydro-2-benzofuran-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-dihydro-2-benzofuran-5-amine?
The IUPAC name of N-methyl-1,3-dihydro-2-benzofuran-5-amine (CID 23544376) is N-methyl-1,3-dihydro-2-benzofuran-5-amine.
What is the SMILES notation for N-methyl-1,3-dihydro-2-benzofuran-5-amine?
The canonical SMILES for N-methyl-1,3-dihydro-2-benzofuran-5-amine is CNc1ccc2c(c1)COC2.
What is the InChIKey of N-methyl-1,3-dihydro-2-benzofuran-5-amine?
The InChIKey is WEPMVUOEJTVTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-10-9-3-2-7-5-11-6-8(7)4-9/h2-4,10H,5-6H2,1H3.
What are the key properties of N-methyl-1,3-dihydro-2-benzofuran-5-amine?
N-methyl-1,3-dihydro-2-benzofuran-5-amine has a molecular weight of 149.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-dihydro-2-benzofuran-5-amine is sourced from PubChem (CID 23544376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).