3-(2,5-difluorophenyl)-5-methoxyaniline

C13H11F2NO — CID 156592012

IUPAC3-(2,5-difluorophenyl)-5-methoxyaniline
SMILESCOc1cc(N)cc(-c2cc(F)ccc2F)c1
InChIInChI=1S/C13H11F2NO/c1-17-11-5-8(4-10(16)7-11)12-6-9(14)2-3-13(12)15/h2-7H,16H2,1H3
InChIKeyASBYNEPQJWWDAC-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.22
Rot. Bonds2

About 3-(2,5-difluorophenyl)-5-methoxyaniline

3-(2,5-difluorophenyl)-5-methoxyaniline (PubChem CID 156592012) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-methoxyaniline.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-5-methoxyaniline
PubChem CID156592012
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name3-(2,5-difluorophenyl)-5-methoxyaniline
SMILESCOc1cc(N)cc(-c2cc(F)ccc2F)c1
InChIInChI=1S/C13H11F2NO/c1-17-11-5-8(4-10(16)7-11)12-6-9(14)2-3-13(12)15/h2-7H,16H2,1H3
InChIKeyASBYNEPQJWWDAC-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.22
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

4-fluoro-3-(5-fluoro-2-methoxyphenyl)aniline
CID 104781195
3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline
CID 172654236
1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene
CID 165487058
3-N-(3,4-difluorophenyl)-5-methoxybenzene-1,3-diamine
CID 80722910
4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline
CID 104781273
2-(3,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227277
3-(2,5-difluorophenyl)-4-fluoroaniline
CID 104781179
3-amino-N-(2,5-difluorophenyl)-5-methoxybenzamide
CID 78985193
3-methoxy-5-pyridin-4-ylaniline
CID 71490877
5-(2,5-difluorophenyl)-3-methylpyridin-2-amine
CID 83170402
1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203
3-N-(5-fluoro-2-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 80722407

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-methoxyaniline?
The IUPAC name of 3-(2,5-difluorophenyl)-5-methoxyaniline (CID 156592012) is 3-(2,5-difluorophenyl)-5-methoxyaniline.
What is the SMILES notation for 3-(2,5-difluorophenyl)-5-methoxyaniline?
The canonical SMILES for 3-(2,5-difluorophenyl)-5-methoxyaniline is COc1cc(N)cc(-c2cc(F)ccc2F)c1.
What is the InChIKey of 3-(2,5-difluorophenyl)-5-methoxyaniline?
The InChIKey is ASBYNEPQJWWDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c1-17-11-5-8(4-10(16)7-11)12-6-9(14)2-3-13(12)15/h2-7H,16H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)-5-methoxyaniline?
3-(2,5-difluorophenyl)-5-methoxyaniline has a molecular weight of 235.23 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-5-methoxyaniline is sourced from PubChem (CID 156592012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).