3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine

C14H17N3O2 — CID 139369576

IUPAC3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine
SMILESCOC(C)Oc1ccccc1-c1ccc(N)nc1N
InChIInChI=1S/C14H17N3O2/c1-9(18-2)19-12-6-4-3-5-10(12)11-7-8-13(15)17-14(11)16/h3-9H,1-2H3,(H4,15,16,17)
InChIKeyRKGUVKIXRHZIIC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.28
Rot. Bonds4

About 3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine

3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine (PubChem CID 139369576) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine
PubChem CID139369576
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine
SMILESCOC(C)Oc1ccccc1-c1ccc(N)nc1N
InChIInChI=1S/C14H17N3O2/c1-9(18-2)19-12-6-4-3-5-10(12)11-7-8-13(15)17-14(11)16/h3-9H,1-2H3,(H4,15,16,17)
InChIKeyRKGUVKIXRHZIIC-UHFFFAOYSA-N
XLogP2.28
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine?
The IUPAC name of 3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine (CID 139369576) is 3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine.
What is the SMILES notation for 3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine?
The canonical SMILES for 3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine is COC(C)Oc1ccccc1-c1ccc(N)nc1N.
What is the InChIKey of 3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine?
The InChIKey is RKGUVKIXRHZIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(18-2)19-12-6-4-3-5-10(12)11-7-8-13(15)17-14(11)16/h3-9H,1-2H3,(H4,15,16,17).
What are the key properties of 3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine?
3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine has a molecular weight of 259.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methoxyethoxy)phenyl]pyridine-2,6-diamine is sourced from PubChem (CID 139369576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).