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

C20H18F2N2O2 — CID 133341736

IUPAC6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1cccc(C(Nc2cccc(F)n2)c2cc(F)ccc2OC)c1
InChIInChI=1S/C20H18F2N2O2/c1-25-15-6-3-5-13(11-15)20(24-19-8-4-7-18(22)23-19)16-12-14(21)9-10-17(16)26-2/h3-12,20H,1-2H3,(H,23,24)
InChIKeyISLUYSWTVNFPNN-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.58
Rot. Bonds6

About 6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine

6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 133341736) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is 6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID133341736
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1cccc(C(Nc2cccc(F)n2)c2cc(F)ccc2OC)c1
InChIInChI=1S/C20H18F2N2O2/c1-25-15-6-3-5-13(11-15)20(24-19-8-4-7-18(22)23-19)16-12-14(21)9-10-17(16)26-2/h3-12,20H,1-2H3,(H,23,24)
InChIKeyISLUYSWTVNFPNN-UHFFFAOYSA-N
XLogP4.58
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133341748
N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133341737
N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine
CID 164631617
N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119809465
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 105394635
N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine
CID 116812981
N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809463
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591099
[(2-bromo-5-fluorophenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283657
N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 105394636
N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 43497130
3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119809451

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine (CID 133341736) is 6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine is COc1cccc(C(Nc2cccc(F)n2)c2cc(F)ccc2OC)c1.
What is the InChIKey of 6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is ISLUYSWTVNFPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-25-15-6-3-5-13(11-15)20(24-19-8-4-7-18(22)23-19)16-12-14(21)9-10-17(16)26-2/h3-12,20H,1-2H3,(H,23,24).
What are the key properties of 6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine?
6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 356.37 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 133341736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).