5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline

C13H13FN2O — CID 118192487

IUPAC5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline
SMILESCc1ccc(OCc2ncccc2F)cc1N
InChIInChI=1S/C13H13FN2O/c1-9-4-5-10(7-12(9)15)17-8-13-11(14)3-2-6-16-13/h2-7H,8,15H2,1H3
InChIKeyMRNHMINPGUNXBF-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.69
Rot. Bonds3

About 5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline

5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline (PubChem CID 118192487) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline.

Molecular Properties

Compound Name5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline
PubChem CID118192487
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline
SMILESCc1ccc(OCc2ncccc2F)cc1N
InChIInChI=1S/C13H13FN2O/c1-9-4-5-10(7-12(9)15)17-8-13-11(14)3-2-6-16-13/h2-7H,8,15H2,1H3
InChIKeyMRNHMINPGUNXBF-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

5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
3-fluoro-2-(phenoxymethyl)pyridine
CID 123532650
3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydroquinazolin-2-one
CID 118192563
(1R)-1-[2-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 107718507
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline
CID 114252463
3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1,4-dihydropyrido[3,4-d]pyrimidin-2-one
CID 90059343
5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
CID 114252440
5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline
CID 114252418
2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107077008
3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-8-iodo-1,4-dihydroquinazolin-2-one
CID 90059352
5-chloro-3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-1-methyl-2,4-dihydroquinazoline
CID 141400266
3-[5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylphenyl]-7-(trifluoromethyl)-4H-quinazoline
CID 141400283

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline?
The IUPAC name of 5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline (CID 118192487) is 5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline.
What is the SMILES notation for 5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline?
The canonical SMILES for 5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline is Cc1ccc(OCc2ncccc2F)cc1N.
What is the InChIKey of 5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline?
The InChIKey is MRNHMINPGUNXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-9-4-5-10(7-12(9)15)17-8-13-11(14)3-2-6-16-13/h2-7H,8,15H2,1H3.
What are the key properties of 5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline?
5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline 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 5-[(3-fluoro-2-pyridinyl)methoxy]-2-methylaniline is sourced from PubChem (CID 118192487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).