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

C14H21NO2 — CID 83049513

IUPAC7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(CC)cccc2C1NOC
InChIInChI=1S/C14H21NO2/c1-4-7-12-13(15-16-3)11-9-6-8-10(5-2)14(11)17-12/h6,8-9,12-13,15H,4-5,7H2,1-3H3
InChIKeyRKTHPFRBOJSQPT-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.00
Rot. Bonds5

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

7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 83049513) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID83049513
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCC1Oc2c(CC)cccc2C1NOC
InChIInChI=1S/C14H21NO2/c1-4-7-12-13(15-16-3)11-9-6-8-10(5-2)14(11)17-12/h6,8-9,12-13,15H,4-5,7H2,1-3H3
InChIKeyRKTHPFRBOJSQPT-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine (CID 83049513) is 7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine is CCCC1Oc2c(CC)cccc2C1NOC.
What is the InChIKey of 7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is RKTHPFRBOJSQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-7-12-13(15-16-3)11-9-6-8-10(5-2)14(11)17-12/h6,8-9,12-13,15H,4-5,7H2,1-3H3.
What are the key properties of 7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine?
7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 235.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-methoxy-2-propyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 83049513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).