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

C14H15FN2O — CID 112650115

IUPAC4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(F)ccc1NCc1ncccc1C
InChIInChI=1S/C14H15FN2O/c1-10-4-3-7-16-13(10)9-17-12-6-5-11(15)8-14(12)18-2/h3-8,17H,9H2,1-2H3
InChIKeyLPIRHYKJCHAPCE-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.15
Rot. Bonds4

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

4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline (PubChem CID 112650115) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
PubChem CID112650115
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1cc(F)ccc1NCc1ncccc1C
InChIInChI=1S/C14H15FN2O/c1-10-4-3-7-16-13(10)9-17-12-6-5-11(15)8-14(12)18-2/h3-8,17H,9H2,1-2H3
InChIKeyLPIRHYKJCHAPCE-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 ≤ 500246.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methoxy-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112649973
4-fluoro-N-[(3-methyl-2-pyridinyl)methyl]-2-nitroaniline
CID 115613228
4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415463
4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437705
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242989
1-(2-bromo-5-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63306292
N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline
CID 106816718
1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305768
4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 55591594
3-fluoro-4-[(3-methyl-2-pyridinyl)methylamino]benzenecarbothioamide
CID 63306579
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline (CID 112650115) is 4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline is COc1cc(F)ccc1NCc1ncccc1C.
What is the InChIKey of 4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is LPIRHYKJCHAPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10-4-3-7-16-13(10)9-17-12-6-5-11(15)8-14(12)18-2/h3-8,17H,9H2,1-2H3.
What are the key properties of 4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline?
4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 246.29 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 4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 112650115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).