4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline

C15H16FNO2 — CID 65431768

IUPAC4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline
SMILESCOc1ccc(CCOc2cc(F)ccc2N)cc1
InChIInChI=1S/C15H16FNO2/c1-18-13-5-2-11(3-6-13)8-9-19-15-10-12(16)4-7-14(15)17/h2-7,10H,8-9,17H2,1H3
InChIKeyHPTATLQILSHZBD-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.04
Rot. Bonds5

About 4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline

4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline (PubChem CID 65431768) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline.

Molecular Properties

Compound Name4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline
PubChem CID65431768
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline
SMILESCOc1ccc(CCOc2cc(F)ccc2N)cc1
InChIInChI=1S/C15H16FNO2/c1-18-13-5-2-11(3-6-13)8-9-19-15-10-12(16)4-7-14(15)17/h2-7,10H,8-9,17H2,1H3
InChIKeyHPTATLQILSHZBD-UHFFFAOYSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.04
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

1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446390
[5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid
CID 65445261
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
4-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 105489347
5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 18794484
4-fluoro-2-octoxyaniline
CID 43128998
4-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]aniline
CID 79148342
4-fluoro-2-(4-methylpentoxy)aniline
CID 62377671
4-fluoro-2-(2-propoxyethoxy)aniline
CID 63684494
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
2-[(4-fluorophenyl)methylsulfanyl]-4-methoxyaniline
CID 79519098
4-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline?
The IUPAC name of 4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline (CID 65431768) is 4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline.
What is the SMILES notation for 4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline?
The canonical SMILES for 4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline is COc1ccc(CCOc2cc(F)ccc2N)cc1.
What is the InChIKey of 4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline?
The InChIKey is HPTATLQILSHZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-18-13-5-2-11(3-6-13)8-9-19-15-10-12(16)4-7-14(15)17/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline?
4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline has a molecular weight of 261.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline is sourced from PubChem (CID 65431768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).