N-(4-fluorophenyl)-2,6-dimethoxyaniline

C14H14FNO2 — CID 90287049

IUPACN-(4-fluorophenyl)-2,6-dimethoxyaniline
SMILESCOc1cccc(OC)c1Nc1ccc(F)cc1
InChIInChI=1S/C14H14FNO2/c1-17-12-4-3-5-13(18-2)14(12)16-11-8-6-10(15)7-9-11/h3-9,16H,1-2H3
InChIKeyMJLSWDMORXPQMV-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.59
Rot. Bonds4

About N-(4-fluorophenyl)-2,6-dimethoxyaniline

N-(4-fluorophenyl)-2,6-dimethoxyaniline (PubChem CID 90287049) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2,6-dimethoxyaniline.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2,6-dimethoxyaniline
PubChem CID90287049
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC NameN-(4-fluorophenyl)-2,6-dimethoxyaniline
SMILESCOc1cccc(OC)c1Nc1ccc(F)cc1
InChIInChI=1S/C14H14FNO2/c1-17-12-4-3-5-13(18-2)14(12)16-11-8-6-10(15)7-9-11/h3-9,16H,1-2H3
InChIKeyMJLSWDMORXPQMV-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2,6-dimethoxyaniline?
The IUPAC name of N-(4-fluorophenyl)-2,6-dimethoxyaniline (CID 90287049) is N-(4-fluorophenyl)-2,6-dimethoxyaniline.
What is the SMILES notation for N-(4-fluorophenyl)-2,6-dimethoxyaniline?
The canonical SMILES for N-(4-fluorophenyl)-2,6-dimethoxyaniline is COc1cccc(OC)c1Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2,6-dimethoxyaniline?
The InChIKey is MJLSWDMORXPQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-17-12-4-3-5-13(18-2)14(12)16-11-8-6-10(15)7-9-11/h3-9,16H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2,6-dimethoxyaniline?
N-(4-fluorophenyl)-2,6-dimethoxyaniline has a molecular weight of 247.27 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2,6-dimethoxyaniline is sourced from PubChem (CID 90287049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).