2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline

C16H16FNO2 — CID 63599997

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(Oc2ccc3c(c2)CCC3)c(N)cc1F
InChIInChI=1S/C16H16FNO2/c1-19-15-9-16(14(18)8-13(15)17)20-12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4,18H2,1H3
InChIKeyHFGOVICZMIDASS-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.70
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline

2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline (PubChem CID 63599997) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline
PubChem CID63599997
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(Oc2ccc3c(c2)CCC3)c(N)cc1F
InChIInChI=1S/C16H16FNO2/c1-19-15-9-16(14(18)8-13(15)17)20-12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4,18H2,1H3
InChIKeyHFGOVICZMIDASS-UHFFFAOYSA-N
XLogP3.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.70
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

2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline
CID 63599666
5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
CID 55215693
5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline
CID 63598441
2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
CID 63599508
[4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine
CID 28966366
2-(3,5-dichlorophenoxy)-5-fluoro-4-methoxyaniline
CID 63598612
2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine
CID 63803303
2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-5-methylaniline
CID 115555267
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792446
4-(3,5-difluorophenoxy)-5-fluoro-2-methoxyaniline
CID 107259895
2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzenecarbothioamide
CID 81298509
2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile
CID 81305874

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline (CID 63599997) is 2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline is COc1cc(Oc2ccc3c(c2)CCC3)c(N)cc1F.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline?
The InChIKey is HFGOVICZMIDASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-19-15-9-16(14(18)8-13(15)17)20-12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4,18H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline?
2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline has a molecular weight of 273.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline is sourced from PubChem (CID 63599997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).