2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline

C15H16FNO3 — CID 107602929

IUPAC2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline
SMILESCOc1cc(OC)c(-c2cccc(F)c2N)c(OC)c1
InChIInChI=1S/C15H16FNO3/c1-18-9-7-12(19-2)14(13(8-9)20-3)10-5-4-6-11(16)15(10)17/h4-8H,17H2,1-3H3
InChIKeyPTYLKKNZCAOOJW-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.10
Rot. Bonds4

About 2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline

2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline (PubChem CID 107602929) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline.

Molecular Properties

Compound Name2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline
PubChem CID107602929
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline
SMILESCOc1cc(OC)c(-c2cccc(F)c2N)c(OC)c1
InChIInChI=1S/C15H16FNO3/c1-18-9-7-12(19-2)14(13(8-9)20-3)10-5-4-6-11(16)15(10)17/h4-8H,17H2,1-3H3
InChIKeyPTYLKKNZCAOOJW-UHFFFAOYSA-N
XLogP3.10
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.10
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

2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899
2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline
CID 107602919
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083
2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5119568
1-(2,4,6-trimethoxyphenyl)naphthalene
CID 71363627
1-fluoro-2-methoxybenzene;3-methoxyaniline
CID 174853611
2-fluoro-4-(2,4,6-trimethoxyphenyl)aniline
CID 61025671
[4-fluoro-3-(2,4,6-trimethoxyphenyl)phenyl]methanamine
CID 61032743
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene
CID 159382015
1-chloro-2-(2,4-dimethoxyphenyl)-3-fluorobenzene
CID 146431475
1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene
CID 102431568

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline?
The IUPAC name of 2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline (CID 107602929) is 2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline.
What is the SMILES notation for 2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline?
The canonical SMILES for 2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline is COc1cc(OC)c(-c2cccc(F)c2N)c(OC)c1.
What is the InChIKey of 2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline?
The InChIKey is PTYLKKNZCAOOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-18-9-7-12(19-2)14(13(8-9)20-3)10-5-4-6-11(16)15(10)17/h4-8H,17H2,1-3H3.
What are the key properties of 2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline?
2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline has a molecular weight of 277.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline is sourced from PubChem (CID 107602929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).