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

C13H13FN2O — CID 113342955

IUPAC5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccccc1CNc1cncc(F)c1
InChIInChI=1S/C13H13FN2O/c1-17-13-5-3-2-4-10(13)7-16-12-6-11(14)8-15-9-12/h2-6,8-9,16H,7H2,1H3
InChIKeyYGBXSMPYBYVMGK-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.84
Rot. Bonds4

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

5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine (PubChem CID 113342955) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine
PubChem CID113342955
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccccc1CNc1cncc(F)c1
InChIInChI=1S/C13H13FN2O/c1-17-13-5-3-2-4-10(13)7-16-12-6-11(14)8-15-9-12/h2-6,8-9,16H,7H2,1H3
InChIKeyYGBXSMPYBYVMGK-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

5-[(4-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109233661
4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 114254373
N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine
CID 114217557
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
3,5-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791512
N-ethyl-5-[(2-methoxyphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109234311
N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide
CID 109222992
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234331
N-(2,5-dimethoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234341
N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234351
5-N-(3-fluorophenyl)-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950993

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of 5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine (CID 113342955) is 5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine is COc1ccccc1CNc1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine?
The InChIKey is YGBXSMPYBYVMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-17-13-5-3-2-4-10(13)7-16-12-6-11(14)8-15-9-12/h2-6,8-9,16H,7H2,1H3.
What are the key properties of 5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine?
5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-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-[(2-methoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 113342955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).