N-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline

C15H16FNO2 — CID 141196323

IUPACN-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline
SMILESCCc1cc(OC)c(ONc2ccccc2)cc1F
InChIInChI=1S/C15H16FNO2/c1-3-11-9-14(18-2)15(10-13(11)16)19-17-12-7-5-4-6-8-12/h4-10,17H,3H2,1-2H3
InChIKeyXMIZMOYYDSKRFI-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.80
Rot. Bonds5

About N-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline

N-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline (PubChem CID 141196323) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline.

Molecular Properties

Compound NameN-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline
PubChem CID141196323
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC NameN-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline
SMILESCCc1cc(OC)c(ONc2ccccc2)cc1F
InChIInChI=1S/C15H16FNO2/c1-3-11-9-14(18-2)15(10-13(11)16)19-17-12-7-5-4-6-8-12/h4-10,17H,3H2,1-2H3
InChIKeyXMIZMOYYDSKRFI-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline?
The IUPAC name of N-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline (CID 141196323) is N-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline.
What is the SMILES notation for N-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline?
The canonical SMILES for N-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline is CCc1cc(OC)c(ONc2ccccc2)cc1F.
What is the InChIKey of N-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline?
The InChIKey is XMIZMOYYDSKRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-3-11-9-14(18-2)15(10-13(11)16)19-17-12-7-5-4-6-8-12/h4-10,17H,3H2,1-2H3.
What are the key properties of N-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline?
N-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline has a molecular weight of 261.30 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-fluoro-2-methoxyphenoxy)aniline is sourced from PubChem (CID 141196323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).