7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

C13H19NO — CID 83049619

IUPAC7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(CC)cccc2C1N
InChIInChI=1S/C13H19NO/c1-3-6-11-12(14)10-8-5-7-9(4-2)13(10)15-11/h5,7-8,11-12H,3-4,6,14H2,1-2H3
InChIKeyOIOQRHZVYRMDNU-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.81
Rot. Bonds3

About 7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine

7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83049619) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83049619
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(CC)cccc2C1N
InChIInChI=1S/C13H19NO/c1-3-6-11-12(14)10-8-5-7-9(4-2)13(10)15-11/h5,7-8,11-12H,3-4,6,14H2,1-2H3
InChIKeyOIOQRHZVYRMDNU-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83049619) is 7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2c(CC)cccc2C1N.
What is the InChIKey of 7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is OIOQRHZVYRMDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-6-11-12(14)10-8-5-7-9(4-2)13(10)15-11/h5,7-8,11-12H,3-4,6,14H2,1-2H3.
What are the key properties of 7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 205.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83049619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).