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

C12H17NO — CID 70260688

IUPACN-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine
SMILESCNCCC1Cc2cccc(C)c2O1
InChIInChI=1S/C12H17NO/c1-9-4-3-5-10-8-11(6-7-13-2)14-12(9)10/h3-5,11,13H,6-8H2,1-2H3
InChIKeyNBNNGEIBCAKFBY-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.91
Rot. Bonds3

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

N-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine (PubChem CID 70260688) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine
PubChem CID70260688
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine
SMILESCNCCC1Cc2cccc(C)c2O1
InChIInChI=1S/C12H17NO/c1-9-4-3-5-10-8-11(6-7-13-2)14-12(9)10/h3-5,11,13H,6-8H2,1-2H3
InChIKeyNBNNGEIBCAKFBY-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine (CID 70260688) is N-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine is CNCCC1Cc2cccc(C)c2O1.
What is the InChIKey of N-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine?
The InChIKey is NBNNGEIBCAKFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-4-3-5-10-8-11(6-7-13-2)14-12(9)10/h3-5,11,13H,6-8H2,1-2H3.
What are the key properties of N-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine?
N-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine has a molecular weight of 191.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(7-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 70260688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).