2-(2,6-dimethoxyphenyl)-6-fluoroaniline

C14H14FNO2 — CID 107602899

IUPAC2-(2,6-dimethoxyphenyl)-6-fluoroaniline
SMILESCOc1cccc(OC)c1-c1cccc(F)c1N
InChIInChI=1S/C14H14FNO2/c1-17-11-7-4-8-12(18-2)13(11)9-5-3-6-10(15)14(9)16/h3-8H,16H2,1-2H3
InChIKeyZVDGFZCWBHGLBV-UHFFFAOYSA-N
MW247.27 g/mol
LogP3.09
Rot. Bonds3

About 2-(2,6-dimethoxyphenyl)-6-fluoroaniline

2-(2,6-dimethoxyphenyl)-6-fluoroaniline (PubChem CID 107602899) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-6-fluoroaniline.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-6-fluoroaniline
PubChem CID107602899
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-(2,6-dimethoxyphenyl)-6-fluoroaniline
SMILESCOc1cccc(OC)c1-c1cccc(F)c1N
InChIInChI=1S/C14H14FNO2/c1-17-11-7-4-8-12(18-2)13(11)9-5-3-6-10(15)14(9)16/h3-8H,16H2,1-2H3
InChIKeyZVDGFZCWBHGLBV-UHFFFAOYSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.09
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-fluoro-6-(2,4,6-trimethoxyphenyl)aniline
CID 107602929
2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline
CID 107602919
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene
CID 159382015
7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine
CID 90645217
2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol
CID 154291295
2-bromo-1,3-bis(2,6-dimethoxyphenyl)benzene
CID 51042386
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
2-fluoro-6-(3-fluoro-2-methylphenyl)aniline
CID 107602875
1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene
CID 119003077
[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 116810937
4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde
CID 116810904

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-6-fluoroaniline?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-6-fluoroaniline (CID 107602899) is 2-(2,6-dimethoxyphenyl)-6-fluoroaniline.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-6-fluoroaniline?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-6-fluoroaniline is COc1cccc(OC)c1-c1cccc(F)c1N.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-6-fluoroaniline?
The InChIKey is ZVDGFZCWBHGLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-17-11-7-4-8-12(18-2)13(11)9-5-3-6-10(15)14(9)16/h3-8H,16H2,1-2H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-6-fluoroaniline?
2-(2,6-dimethoxyphenyl)-6-fluoroaniline has a molecular weight of 247.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-6-fluoroaniline is sourced from PubChem (CID 107602899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).