N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine

C11H15NO — CID 29941

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
SMILESCCNCC1Cc2ccccc2O1
InChIInChI=1S/C11H15NO/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10/h3-6,10,12H,2,7-8H2,1H3
InChIKeyARWUGHLZFYRZDM-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.60
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine (PubChem CID 29941) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
PubChem CID29941
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
SMILESCCNCC1Cc2ccccc2O1
InChIInChI=1S/C11H15NO/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10/h3-6,10,12H,2,7-8H2,1H3
InChIKeyARWUGHLZFYRZDM-UHFFFAOYSA-N
XLogP1.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine (CID 29941) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine is CCNCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine?
The InChIKey is ARWUGHLZFYRZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10/h3-6,10,12H,2,7-8H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine has a molecular weight of 177.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine is sourced from PubChem (CID 29941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).