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

C17H18FNO2 — CID 102902173

IUPAC2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline
SMILESNc1ccccc1CCOCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H18FNO2/c18-14-5-6-17-13(9-14)10-15(21-17)11-20-8-7-12-3-1-2-4-16(12)19/h1-6,9,15H,7-8,10-11,19H2
InChIKeyROYUVUIZRUEIGU-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.97
Rot. Bonds5

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

2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline (PubChem CID 102902173) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline
PubChem CID102902173
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline
SMILESNc1ccccc1CCOCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C17H18FNO2/c18-14-5-6-17-13(9-14)10-15(21-17)11-20-8-7-12-3-1-2-4-16(12)19/h1-6,9,15H,7-8,10-11,19H2
InChIKeyROYUVUIZRUEIGU-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline
CID 102902368
[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]methanol
CID 66364718
3-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
CID 107715648
5-fluoro-2-[(2-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 66361307
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 115956641
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine
CID 66364142
2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 115956487
5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
CID 66364663
3-amino-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridin-2-one
CID 66365093
(2S)-2-[(3,5-dimethylphenoxy)methyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 141114126
(1S)-1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanamine
CID 66363116

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline?
The IUPAC name of 2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline (CID 102902173) is 2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline.
What is the SMILES notation for 2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline?
The canonical SMILES for 2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline is Nc1ccccc1CCOCC1Cc2cc(F)ccc2O1.
What is the InChIKey of 2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline?
The InChIKey is ROYUVUIZRUEIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-14-5-6-17-13(9-14)10-15(21-17)11-20-8-7-12-3-1-2-4-16(12)19/h1-6,9,15H,7-8,10-11,19H2.
What are the key properties of 2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline?
2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline has a molecular weight of 287.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline is sourced from PubChem (CID 102902173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).