3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine

C15H18FN3O2 — CID 68778196

IUPAC3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine
SMILESCOCCCOc1cc(F)ccc1-c1ccc(N)nc1N
InChIInChI=1S/C15H18FN3O2/c1-20-7-2-8-21-13-9-10(16)3-4-11(13)12-5-6-14(17)19-15(12)18/h3-6,9H,2,7-8H2,1H3,(H4,17,18,19)
InChIKeyCHECOHCJIJPXHE-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.47
Rot. Bonds6

About 3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine

3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine (PubChem CID 68778196) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine
PubChem CID68778196
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine
SMILESCOCCCOc1cc(F)ccc1-c1ccc(N)nc1N
InChIInChI=1S/C15H18FN3O2/c1-20-7-2-8-21-13-9-10(16)3-4-11(13)12-5-6-14(17)19-15(12)18/h3-6,9H,2,7-8H2,1H3,(H4,17,18,19)
InChIKeyCHECOHCJIJPXHE-UHFFFAOYSA-N
XLogP2.47
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine?
The IUPAC name of 3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine (CID 68778196) is 3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine.
What is the SMILES notation for 3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine?
The canonical SMILES for 3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine is COCCCOc1cc(F)ccc1-c1ccc(N)nc1N.
What is the InChIKey of 3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine?
The InChIKey is CHECOHCJIJPXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-20-7-2-8-21-13-9-10(16)3-4-11(13)12-5-6-14(17)19-15(12)18/h3-6,9H,2,7-8H2,1H3,(H4,17,18,19).
What are the key properties of 3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine?
3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine has a molecular weight of 291.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-(3-methoxypropoxy)phenyl]pyridine-2,6-diamine is sourced from PubChem (CID 68778196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).