5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline

C15H13ClFNO2 — CID 66364663

IUPAC5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
SMILESNc1cc(Cl)ccc1OCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H13ClFNO2/c16-10-1-3-15(13(18)7-10)19-8-12-6-9-5-11(17)2-4-14(9)20-12/h1-5,7,12H,6,8,18H2
InChIKeyGBVIGJWISXIYHV-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.44
Rot. Bonds3

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

5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline (PubChem CID 66364663) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline.

Molecular Properties

Compound Name5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
PubChem CID66364663
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
SMILESNc1cc(Cl)ccc1OCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H13ClFNO2/c16-10-1-3-15(13(18)7-10)19-8-12-6-9-5-11(17)2-4-14(9)20-12/h1-5,7,12H,6,8,18H2
InChIKeyGBVIGJWISXIYHV-UHFFFAOYSA-N
XLogP3.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.44
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 5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline?
The IUPAC name of 5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline (CID 66364663) is 5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline.
What is the SMILES notation for 5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline?
The canonical SMILES for 5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline is Nc1cc(Cl)ccc1OCC1Cc2cc(F)ccc2O1.
What is the InChIKey of 5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline?
The InChIKey is GBVIGJWISXIYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-10-1-3-15(13(18)7-10)19-8-12-6-9-5-11(17)2-4-14(9)20-12/h1-5,7,12H,6,8,18H2.
What are the key properties of 5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline?
5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline has a molecular weight of 293.73 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline is sourced from PubChem (CID 66364663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).