2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline

C15H16FNO2 — CID 63599666

IUPAC2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(Oc2ccc(C)c(C)c2)c(N)cc1F
InChIInChI=1S/C15H16FNO2/c1-9-4-5-11(6-10(9)2)19-15-8-14(18-3)12(16)7-13(15)17/h4-8H,17H2,1-3H3
InChIKeyZDTVAKSFZDRJCT-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.83
Rot. Bonds3

About 2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline

2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline (PubChem CID 63599666) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline
PubChem CID63599666
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(Oc2ccc(C)c(C)c2)c(N)cc1F
InChIInChI=1S/C15H16FNO2/c1-9-4-5-11(6-10(9)2)19-15-8-14(18-3)12(16)7-13(15)17/h4-8H,17H2,1-3H3
InChIKeyZDTVAKSFZDRJCT-UHFFFAOYSA-N
XLogP3.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.83
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

5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
CID 55215693
5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline
CID 63598441
2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline
CID 63599997
2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
CID 63599508
2-(3,5-dichlorophenoxy)-5-fluoro-4-methoxyaniline
CID 63598612
4-(3,5-difluorophenoxy)-5-fluoro-2-methoxyaniline
CID 107259895
2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline
CID 63598602
5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 103590913
4-fluoro-5-methoxy-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 63598024
4-bromo-2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 116736446
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792446
2,5-difluoro-4-methoxyaniline
CID 45090681

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline?
The IUPAC name of 2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline (CID 63599666) is 2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline is COc1cc(Oc2ccc(C)c(C)c2)c(N)cc1F.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline?
The InChIKey is ZDTVAKSFZDRJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-9-4-5-11(6-10(9)2)19-15-8-14(18-3)12(16)7-13(15)17/h4-8H,17H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline?
2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline has a molecular weight of 261.30 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline is sourced from PubChem (CID 63599666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).