3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline

C17H18FNO2 — CID 66365827

IUPAC3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline
SMILESCc1ccc(N)c(C)c1OCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H18FNO2/c1-10-3-5-15(19)11(2)17(10)20-9-14-8-12-7-13(18)4-6-16(12)21-14/h3-7,14H,8-9,19H2,1-2H3
InChIKeyQTCUVHHCGIGVIB-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.41
Rot. Bonds3

About 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline

3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline (PubChem CID 66365827) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline.

Molecular Properties

Compound Name3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline
PubChem CID66365827
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline
SMILESCc1ccc(N)c(C)c1OCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H18FNO2/c1-10-3-5-15(19)11(2)17(10)20-9-14-8-12-7-13(18)4-6-16(12)21-14/h3-7,14H,8-9,19H2,1-2H3
InChIKeyQTCUVHHCGIGVIB-UHFFFAOYSA-N
XLogP3.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.41
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 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline?
The IUPAC name of 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline (CID 66365827) is 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline.
What is the SMILES notation for 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline?
The canonical SMILES for 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline is Cc1ccc(N)c(C)c1OCC1Cc2cc(F)ccc2O1.
What is the InChIKey of 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline?
The InChIKey is QTCUVHHCGIGVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-10-3-5-15(19)11(2)17(10)20-9-14-8-12-7-13(18)4-6-16(12)21-14/h3-7,14H,8-9,19H2,1-2H3.
What are the key properties of 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline?
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline has a molecular weight of 287.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2,4-dimethylaniline is sourced from PubChem (CID 66365827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).