2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine

C13H19NO2 — CID 64662430

IUPAC2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2ccc(CCOC)cc2C1N
InChIInChI=1S/C13H19NO2/c1-3-11-13(14)10-8-9(6-7-15-2)4-5-12(10)16-11/h4-5,8,11,13H,3,6-7,14H2,1-2H3
InChIKeySRQBAMNIEYFAMI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.05
Rot. Bonds4

About 2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine

2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64662430) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64662430
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC1Oc2ccc(CCOC)cc2C1N
InChIInChI=1S/C13H19NO2/c1-3-11-13(14)10-8-9(6-7-15-2)4-5-12(10)16-11/h4-5,8,11,13H,3,6-7,14H2,1-2H3
InChIKeySRQBAMNIEYFAMI-UHFFFAOYSA-N
XLogP2.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine (CID 64662430) is 2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine is CCC1Oc2ccc(CCOC)cc2C1N.
What is the InChIKey of 2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is SRQBAMNIEYFAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-11-13(14)10-8-9(6-7-15-2)4-5-12(10)16-11/h4-5,8,11,13H,3,6-7,14H2,1-2H3.
What are the key properties of 2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine?
2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 221.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64662430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).