2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline

C17H19NO2 — CID 66348762

IUPAC2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline
SMILESCCc1ccc(OCC2Cc3ccccc3O2)c(N)c1
InChIInChI=1S/C17H19NO2/c1-2-12-7-8-17(15(18)9-12)19-11-14-10-13-5-3-4-6-16(13)20-14/h3-9,14H,2,10-11,18H2,1H3
InChIKeyOQMWMFMFDVKOIE-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.21
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline

2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline (PubChem CID 66348762) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline
PubChem CID66348762
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline
SMILESCCc1ccc(OCC2Cc3ccccc3O2)c(N)c1
InChIInChI=1S/C17H19NO2/c1-2-12-7-8-17(15(18)9-12)19-11-14-10-13-5-3-4-6-16(13)20-14/h3-9,14H,2,10-11,18H2,1H3
InChIKeyOQMWMFMFDVKOIE-UHFFFAOYSA-N
XLogP3.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-chloro-4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
CID 66364960
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
CID 66348760
[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
CID 66348957
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzonitrile
CID 66365332
[5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanol
CID 66364175
[4-chloro-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]methanamine
CID 114322334
5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
CID 66364663
5-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzoic acid
CID 66364945
2,3-dihydro-1-benzofuran-2-ylmethyl 3,5-diaminobenzoate
CID 66365761
(1S)-1-[3-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanamine
CID 66348382
2,5-diethyl-2,3-dihydro-1-benzofuran
CID 19757400
[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl methanesulfonate
CID 11195526

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline (CID 66348762) is 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline is CCc1ccc(OCC2Cc3ccccc3O2)c(N)c1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline?
The InChIKey is OQMWMFMFDVKOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-12-7-8-17(15(18)9-12)19-11-14-10-13-5-3-4-6-16(13)20-14/h3-9,14H,2,10-11,18H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline?
2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline has a molecular weight of 269.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-5-ethylaniline is sourced from PubChem (CID 66348762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).