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

C9H13NO — CID 146429901

IUPAC2-methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine
SMILESCC1CC2=C(C=CCC2N)O1
InChIInChI=1S/C9H13NO/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2,4,6,8H,3,5,10H2,1H3
InChIKeyKCKNDFPMLLFETP-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.34
Rot. Bonds

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

2-methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine (PubChem CID 146429901) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound Name2-methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine
PubChem CID146429901
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine
SMILESCC1CC2=C(C=CCC2N)O1
InChIInChI=1S/C9H13NO/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2,4,6,8H,3,5,10H2,1H3
InChIKeyKCKNDFPMLLFETP-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2,3,4,5-tetrahydro-1-benzofuran-4-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-2,3,4,5-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of 2-methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine (CID 146429901) is 2-methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for 2-methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for 2-methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine is CC1CC2=C(C=CCC2N)O1.
What is the InChIKey of 2-methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine?
The InChIKey is KCKNDFPMLLFETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-5-7-8(10)3-2-4-9(7)11-6/h2,4,6,8H,3,5,10H2,1H3.
What are the key properties of 2-methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine?
2-methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine has a molecular weight of 151.21 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,4,5-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 146429901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).