3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

C13H13FN2O — CID 62735098

IUPAC3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ncccc2F)cc1
InChIInChI=1S/C13H13FN2O/c1-17-11-6-4-10(5-7-11)9-16-13-12(14)3-2-8-15-13/h2-8H,9H2,1H3,(H,15,16)
InChIKeyVSIABPDZGSDWRU-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.84
Rot. Bonds4

About 3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 62735098) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID62735098
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ncccc2F)cc1
InChIInChI=1S/C13H13FN2O/c1-17-11-6-4-10(5-7-11)9-16-13-12(14)3-2-8-15-13/h2-8H,9H2,1H3,(H,15,16)
InChIKeyVSIABPDZGSDWRU-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

[4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232296
N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 62735303
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 62735276
3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103741704
N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine
CID 56969051
3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
N-[(3,4-difluorophenyl)methyl]-3-methoxypyridin-2-amine
CID 112547904
N-[(4-ethylphenyl)methyl]-3-methoxypyridin-2-amine
CID 103872142
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
2-(aminomethyl)-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 68517878
2-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892448

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine (CID 62735098) is 3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine is COc1ccc(CNc2ncccc2F)cc1.
What is the InChIKey of 3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is VSIABPDZGSDWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-17-11-6-4-10(5-7-11)9-16-13-12(14)3-2-8-15-13/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
3-fluoro-N-[(4-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 3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 62735098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).