2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine

C9H13NO — CID 144761129

IUPAC2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine
SMILESCC1CC2=CCCC(N)=C2O1
InChIInChI=1S/C9H13NO/c1-6-5-7-3-2-4-8(10)9(7)11-6/h3,6H,2,4-5,10H2,1H3
InChIKeyZHWPBHKMVYNPMB-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.69
Rot. Bonds

About 2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine

2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine (PubChem CID 144761129) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine.

Molecular Properties

Compound Name2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine
PubChem CID144761129
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine
SMILESCC1CC2=CCCC(N)=C2O1
InChIInChI=1S/C9H13NO/c1-6-5-7-3-2-4-8(10)9(7)11-6/h3,6H,2,4-5,10H2,1H3
InChIKeyZHWPBHKMVYNPMB-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-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 2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine?
The IUPAC name of 2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine (CID 144761129) is 2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine.
What is the SMILES notation for 2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine?
The canonical SMILES for 2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine is CC1CC2=CCCC(N)=C2O1.
What is the InChIKey of 2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine?
The InChIKey is ZHWPBHKMVYNPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-5-7-3-2-4-8(10)9(7)11-6/h3,6H,2,4-5,10H2,1H3.
What are the key properties of 2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine?
2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine has a molecular weight of 151.21 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,5,6-tetrahydro-1-benzofuran-7-amine is sourced from PubChem (CID 144761129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).