2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine

C13H19NO — CID 64865974

IUPAC2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine
SMILESCNCCc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C13H19NO/c1-13(2)9-11-6-4-5-10(7-8-14-3)12(11)15-13/h4-6,14H,7-9H2,1-3H3
InChIKeyBWFRFGNYLPTRRT-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.16
Rot. Bonds3

About 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine

2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine (PubChem CID 64865974) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine
PubChem CID64865974
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine
SMILESCNCCc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C13H19NO/c1-13(2)9-11-6-4-5-10(7-8-14-3)12(11)15-13/h4-6,14H,7-9H2,1-3H3
InChIKeyBWFRFGNYLPTRRT-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine 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-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine?
The IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine (CID 64865974) is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine is CNCCc1cccc2c1OC(C)(C)C2.
What is the InChIKey of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine?
The InChIKey is BWFRFGNYLPTRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2)9-11-6-4-5-10(7-8-14-3)12(11)15-13/h4-6,14H,7-9H2,1-3H3.
What are the key properties of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine?
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethanamine is sourced from PubChem (CID 64865974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).