N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine

C12H17NO3 — CID 43589787

IUPACN-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OC)cc(OC)c21
InChIInChI=1S/C12H17NO3/c1-4-13-9-7-16-11-6-8(14-2)5-10(15-3)12(9)11/h5-6,9,13H,4,7H2,1-3H3
InChIKeyFIXZMGSSZQLVOF-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.75
Rot. Bonds4

About N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine

N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43589787) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43589787
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OC)cc(OC)c21
InChIInChI=1S/C12H17NO3/c1-4-13-9-7-16-11-6-8(14-2)5-10(15-3)12(9)11/h5-6,9,13H,4,7H2,1-3H3
InChIKeyFIXZMGSSZQLVOF-UHFFFAOYSA-N
XLogP1.75
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine (CID 43589787) is N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine is CCNC1COc2cc(OC)cc(OC)c21.
What is the InChIKey of N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is FIXZMGSSZQLVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-13-9-7-16-11-6-8(14-2)5-10(15-3)12(9)11/h5-6,9,13H,4,7H2,1-3H3.
What are the key properties of N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine?
N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 223.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 43589787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).