2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline

C15H16FNO — CID 107602919

IUPAC2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline
SMILESCOc1cc(C)cc(C)c1-c1cccc(F)c1N
InChIInChI=1S/C15H16FNO/c1-9-7-10(2)14(13(8-9)18-3)11-5-4-6-12(16)15(11)17/h4-8H,17H2,1-3H3
InChIKeyXKLFVGGEVHOSBB-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.70
Rot. Bonds2

About 2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline

2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline (PubChem CID 107602919) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline.

Molecular Properties

Compound Name2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline
PubChem CID107602919
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline
SMILESCOc1cc(C)cc(C)c1-c1cccc(F)c1N
InChIInChI=1S/C15H16FNO/c1-9-7-10(2)14(13(8-9)18-3)11-5-4-6-12(16)15(11)17/h4-8H,17H2,1-3H3
InChIKeyXKLFVGGEVHOSBB-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,4,6-trimethoxyphenyl)aniline
CID 107602929
2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde
CID 106681100
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-(2,5-dimethylphenoxy)-6-fluoroaniline
CID 54920394
4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681044
(2-fluoro-6-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680256
5-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781910
CID 137158148
CID 137158148
4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline
CID 107593742
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083
N-[[3-fluoro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106681131

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline?
The IUPAC name of 2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline (CID 107602919) is 2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline.
What is the SMILES notation for 2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline?
The canonical SMILES for 2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline is COc1cc(C)cc(C)c1-c1cccc(F)c1N.
What is the InChIKey of 2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline?
The InChIKey is XKLFVGGEVHOSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-9-7-10(2)14(13(8-9)18-3)11-5-4-6-12(16)15(11)17/h4-8H,17H2,1-3H3.
What are the key properties of 2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline?
2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline has a molecular weight of 245.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline is sourced from PubChem (CID 107602919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).