2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline

C13H13FN2O — CID 146469919

IUPAC2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline
SMILESCc1cc(N)c(F)cc1OCc1ccccn1
InChIInChI=1S/C13H13FN2O/c1-9-6-12(15)11(14)7-13(9)17-8-10-4-2-3-5-16-10/h2-7H,8,15H2,1H3
InChIKeyWOFNQEKOUNGRFR-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.69
Rot. Bonds3

About 2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline

2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline (PubChem CID 146469919) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline
PubChem CID146469919
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline
SMILESCc1cc(N)c(F)cc1OCc1ccccn1
InChIInChI=1S/C13H13FN2O/c1-9-6-12(15)11(14)7-13(9)17-8-10-4-2-3-5-16-10/h2-7H,8,15H2,1H3
InChIKeyWOFNQEKOUNGRFR-UHFFFAOYSA-N
XLogP2.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.69
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

3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160
5-(pyridin-2-ylmethoxy)naphthalen-1-amine
CID 82037861
5-methoxy-2-(pyridin-2-ylmethoxy)aniline
CID 16775223
2-fluoro-4-methoxy-5-methylaniline
CID 89371124
2-methoxy-5-(pyridin-2-ylmethoxy)aniline
CID 103201474
1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 107693096
2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 107258603
3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride
CID 142684298
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol
CID 143451373
2-fluoro-5-methyl-4-pyridin-4-yloxyaniline
CID 160574792
4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline
CID 63993109

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline?
The IUPAC name of 2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline (CID 146469919) is 2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline.
What is the SMILES notation for 2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline?
The canonical SMILES for 2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline is Cc1cc(N)c(F)cc1OCc1ccccn1.
What is the InChIKey of 2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline?
The InChIKey is WOFNQEKOUNGRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-9-6-12(15)11(14)7-13(9)17-8-10-4-2-3-5-16-10/h2-7H,8,15H2,1H3.
What are the key properties of 2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline?
2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline has a molecular weight of 232.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline is sourced from PubChem (CID 146469919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).