5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine

C13H13FN2O — CID 61313135

IUPAC5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1cccc(CNc2ccc(F)cn2)c1
InChIInChI=1S/C13H13FN2O/c1-17-12-4-2-3-10(7-12)8-15-13-6-5-11(14)9-16-13/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyRNNNHTAGLLBPOO-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.84
Rot. Bonds4

About 5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine

5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 61313135) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID61313135
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1cccc(CNc2ccc(F)cn2)c1
InChIInChI=1S/C13H13FN2O/c1-17-12-4-2-3-10(7-12)8-15-13-6-5-11(14)9-16-13/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyRNNNHTAGLLBPOO-UHFFFAOYSA-N
XLogP2.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802193
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
5-fluoro-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 61313338
5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine
CID 83308187
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline
CID 28878919
4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline
CID 79768483
6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
CID 79826816
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109281680
5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 61311581
5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690444

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine (CID 61313135) is 5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine is COc1cccc(CNc2ccc(F)cn2)c1.
What is the InChIKey of 5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is RNNNHTAGLLBPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-17-12-4-2-3-10(7-12)8-15-13-6-5-11(14)9-16-13/h2-7,9H,8H2,1H3,(H,15,16).
What are the key properties of 5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine?
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 232.26 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 61313135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).