4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline

C17H19NO2 — CID 66348760

IUPAC4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
SMILESCc1cc(N)cc(C)c1OCC1Cc2ccccc2O1
InChIInChI=1S/C17H19NO2/c1-11-7-14(18)8-12(2)17(11)19-10-15-9-13-5-3-4-6-16(13)20-15/h3-8,15H,9-10,18H2,1-2H3
InChIKeyKJRXWLLYBFIPLG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.27
Rot. Bonds3

About 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline

4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline (PubChem CID 66348760) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
PubChem CID66348760
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline
SMILESCc1cc(N)cc(C)c1OCC1Cc2ccccc2O1
InChIInChI=1S/C17H19NO2/c1-11-7-14(18)8-12(2)17(11)19-10-15-9-13-5-3-4-6-16(13)20-15/h3-8,15H,9-10,18H2,1-2H3
InChIKeyKJRXWLLYBFIPLG-UHFFFAOYSA-N
XLogP3.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline (CID 66348760) is 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline is Cc1cc(N)cc(C)c1OCC1Cc2ccccc2O1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline?
The InChIKey is KJRXWLLYBFIPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-7-14(18)8-12(2)17(11)19-10-15-9-13-5-3-4-6-16(13)20-15/h3-8,15H,9-10,18H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline?
4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline has a molecular weight of 269.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)-3,5-dimethylaniline is sourced from PubChem (CID 66348760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).