N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine

C15H23NO2 — CID 55219020

IUPACN-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OCCC(C)C)ccc21
InChIInChI=1S/C15H23NO2/c1-4-16-14-10-18-15-9-12(5-6-13(14)15)17-8-7-11(2)3/h5-6,9,11,14,16H,4,7-8,10H2,1-3H3
InChIKeyFFMFUMILQHIZMD-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.15
Rot. Bonds6

About N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine

N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 55219020) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID55219020
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OCCC(C)C)ccc21
InChIInChI=1S/C15H23NO2/c1-4-16-14-10-18-15-9-12(5-6-13(14)15)17-8-7-11(2)3/h5-6,9,11,14,16H,4,7-8,10H2,1-3H3
InChIKeyFFMFUMILQHIZMD-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine (CID 55219020) is N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine is CCNC1COc2cc(OCCC(C)C)ccc21.
What is the InChIKey of N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is FFMFUMILQHIZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-16-14-10-18-15-9-12(5-6-13(14)15)17-8-7-11(2)3/h5-6,9,11,14,16H,4,7-8,10H2,1-3H3.
What are the key properties of N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine?
N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 249.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 55219020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).