N-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine

C11H15NO — CID 143482378

IUPACN-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine
SMILESCNCC1=C(C)C2=CC=CCC2O1
InChIInChI=1S/C11H15NO/c1-8-9-5-3-4-6-10(9)13-11(8)7-12-2/h3-5,10,12H,6-7H2,1-2H3
InChIKeyXPNOEUNEXQDDAT-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.76
Rot. Bonds2

About N-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine

N-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine (PubChem CID 143482378) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine
PubChem CID143482378
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine
SMILESCNCC1=C(C)C2=CC=CCC2O1
InChIInChI=1S/C11H15NO/c1-8-9-5-3-4-6-10(9)13-11(8)7-12-2/h3-5,10,12H,6-7H2,1-2H3
InChIKeyXPNOEUNEXQDDAT-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine 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-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine (CID 143482378) is N-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine is CNCC1=C(C)C2=CC=CCC2O1.
What is the InChIKey of N-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine?
The InChIKey is XPNOEUNEXQDDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-9-5-3-4-6-10(9)13-11(8)7-12-2/h3-5,10,12H,6-7H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine?
N-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-7,7a-dihydro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 143482378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).