3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline

C13H13FN2O — CID 144783936

IUPAC3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
SMILESCc1cccnc1OCc1c(N)cccc1F
InChIInChI=1S/C13H13FN2O/c1-9-4-3-7-16-13(9)17-8-10-11(14)5-2-6-12(10)15/h2-7H,8,15H2,1H3
InChIKeyBBRAWUQPMRYIMS-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.69
Rot. Bonds3

About 3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline

3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline (PubChem CID 144783936) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline.

Molecular Properties

Compound Name3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
PubChem CID144783936
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
SMILESCc1cccnc1OCc1c(N)cccc1F
InChIInChI=1S/C13H13FN2O/c1-9-4-3-7-16-13(9)17-8-10-11(14)5-2-6-12(10)15/h2-7H,8,15H2,1H3
InChIKeyBBRAWUQPMRYIMS-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

N,3-dimethyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784540
3-fluoro-2-[(2,3,5-trimethylphenoxy)methyl]aniline
CID 63331444
2-[(3-methyl-2-pyridinyl)oxy]pyridin-3-amine
CID 901895
2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline
CID 55200768
2-[(3-methyl-2-pyridinyl)oxy]aniline
CID 62253528
2-[(3,4-difluorophenoxy)methyl]-3-fluoroaniline
CID 63331973
[2-fluoro-6-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 112649743
2-[(2-tert-butylphenoxy)methyl]-3-fluoroaniline
CID 63331805
2-[(3,4-dichlorophenoxy)methyl]-3-fluoroaniline
CID 63331345
3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784150
O-(3-methyl-2-pyridinyl)hydroxylamine
CID 79422028
5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine
CID 114929956

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline?
The IUPAC name of 3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline (CID 144783936) is 3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline.
What is the SMILES notation for 3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline?
The canonical SMILES for 3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline is Cc1cccnc1OCc1c(N)cccc1F.
What is the InChIKey of 3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline?
The InChIKey is BBRAWUQPMRYIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-9-4-3-7-16-13(9)17-8-10-11(14)5-2-6-12(10)15/h2-7H,8,15H2,1H3.
What are the key properties of 3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline?
3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]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 3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline is sourced from PubChem (CID 144783936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).