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

C13H19NO — CID 11971683

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)CC1Cc2ccccc2O1
InChIInChI=1S/C13H19NO/c1-3-14(4-2)10-12-9-11-7-5-6-8-13(11)15-12/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyGPZIBBGWQIVMQG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.33
Rot. Bonds4

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

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylethanamine (PubChem CID 11971683) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylethanamine
PubChem CID11971683
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylethanamine
SMILESCCN(CC)CC1Cc2ccccc2O1
InChIInChI=1S/C13H19NO/c1-3-14(4-2)10-12-9-11-7-5-6-8-13(11)15-12/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyGPZIBBGWQIVMQG-UHFFFAOYSA-N
XLogP2.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
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)-N-ethylethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylethanamine (CID 11971683) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylethanamine is CCN(CC)CC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylethanamine?
The InChIKey is GPZIBBGWQIVMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-14(4-2)10-12-9-11-7-5-6-8-13(11)15-12/h5-8,12H,3-4,9-10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylethanamine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 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)-N-ethylethanamine is sourced from PubChem (CID 11971683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).