N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine

C11H17NO — CID 83906347

IUPACN-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine
SMILESCNCC1CCCc2cc(C)oc21
InChIInChI=1S/C11H17NO/c1-8-6-9-4-3-5-10(7-12-2)11(9)13-8/h6,10,12H,3-5,7H2,1-2H3
InChIKeyAMIRXVZTKIBZQE-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.23
Rot. Bonds2

About N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine

N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine (PubChem CID 83906347) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine
PubChem CID83906347
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine
SMILESCNCC1CCCc2cc(C)oc21
InChIInChI=1S/C11H17NO/c1-8-6-9-4-3-5-10(7-12-2)11(9)13-8/h6,10,12H,3-5,7H2,1-2H3
InChIKeyAMIRXVZTKIBZQE-UHFFFAOYSA-N
XLogP2.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine (CID 83906347) is N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine is CNCC1CCCc2cc(C)oc21.
What is the InChIKey of N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine?
The InChIKey is AMIRXVZTKIBZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-6-9-4-3-5-10(7-12-2)11(9)13-8/h6,10,12H,3-5,7H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine?
N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine has a molecular weight of 179.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)methanamine is sourced from PubChem (CID 83906347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).