2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline

C15H16FNO3 — CID 64768237

IUPAC2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline
SMILESCOc1cccc(OC)c1OCc1ccc(F)cc1N
InChIInChI=1S/C15H16FNO3/c1-18-13-4-3-5-14(19-2)15(13)20-9-10-6-7-11(16)8-12(10)17/h3-8H,9,17H2,1-2H3
InChIKeyBFXDQVVXKKXXNR-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.00
Rot. Bonds5

About 2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline

2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline (PubChem CID 64768237) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline
PubChem CID64768237
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline
SMILESCOc1cccc(OC)c1OCc1ccc(F)cc1N
InChIInChI=1S/C15H16FNO3/c1-18-13-4-3-5-14(19-2)15(13)20-9-10-6-7-11(16)8-12(10)17/h3-8H,9,17H2,1-2H3
InChIKeyBFXDQVVXKKXXNR-UHFFFAOYSA-N
XLogP3.00
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
CID 64769606
2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline
CID 64768828
2-[(3-ethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768838
2-(2,6-dimethoxyphenoxy)-4-fluoroaniline
CID 62376643
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
CID 83162859
2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60904969
2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
CID 104831279
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-fluoroaniline
CID 64769409
2-[(4-bromo-3,5-dimethylphenoxy)methyl]-5-fluoroaniline
CID 107722724
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
2-[(5-bromo-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 114671796
1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60908017

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline?
The IUPAC name of 2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline (CID 64768237) is 2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline.
What is the SMILES notation for 2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline?
The canonical SMILES for 2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline is COc1cccc(OC)c1OCc1ccc(F)cc1N.
What is the InChIKey of 2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline?
The InChIKey is BFXDQVVXKKXXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-18-13-4-3-5-14(19-2)15(13)20-9-10-6-7-11(16)8-12(10)17/h3-8H,9,17H2,1-2H3.
What are the key properties of 2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline?
2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline has a molecular weight of 277.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline is sourced from PubChem (CID 64768237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).