3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline

C14H15FN2O — CID 82892898

IUPAC3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2cccc(F)c2)c1
InChIInChI=1S/C14H15FN2O/c1-10-6-14(18-2)8-13(17-10)9-16-12-5-3-4-11(15)7-12/h3-8,16H,9H2,1-2H3
InChIKeyACJQBTYRCUCTKB-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.15
Rot. Bonds4

About 3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline

3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (PubChem CID 82892898) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
PubChem CID82892898
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(C)nc(CNc2cccc(F)c2)c1
InChIInChI=1S/C14H15FN2O/c1-10-6-14(18-2)8-13(17-10)9-16-12-5-3-4-11(15)7-12/h3-8,16H,9H2,1-2H3
InChIKeyACJQBTYRCUCTKB-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline (CID 82892898) is 3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is COc1cc(C)nc(CNc2cccc(F)c2)c1.
What is the InChIKey of 3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is ACJQBTYRCUCTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10-6-14(18-2)8-13(17-10)9-16-12-5-3-4-11(15)7-12/h3-8,16H,9H2,1-2H3.
What are the key properties of 3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline?
3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 246.28 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 82892898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).