N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine

C17H16Cl4N2O2 — CID 139724919

About N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine

N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine (PubChem CID 139724919) has the molecular formula C17H16Cl4N2O2 and a molecular weight of 422.14 g/mol. Its IUPAC name is N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine
• PubChem CID: 139724919
• Molecular Formula: C17H16Cl4N2O2
• Molecular Weight: 422.14 g/mol
• Exact Mass: 420.00
• IUPAC Name: N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine
• SMILES: ClC(Cl)=CCOc1cc(Cl)c(OCCCNc2ccccn2)c(Cl)c1
• InChI: InChI=1S/C17H16Cl4N2O2/c18-13-10-12(24-9-5-15(20)21)11-14(19)17(13)25-8-3-7-23-16-4-1-2-6-22-16/h1-2,4-6,10-11H,3,7-9H2,(H,22,23)
• InChIKey: FWOVVBCSOJFVLK-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 43.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.14
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine?

The IUPAC name of N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine (CID 139724919) is N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine.

What is the SMILES notation for N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine?

The canonical SMILES for N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine is ClC(Cl)=CCOc1cc(Cl)c(OCCCNc2ccccn2)c(Cl)c1.

What is the InChIKey of N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine?

The InChIKey is FWOVVBCSOJFVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl4N2O2/c18-13-10-12(24-9-5-15(20)21)11-14(19)17(13)25-8-3-7-23-16-4-1-2-6-22-16/h1-2,4-6,10-11H,3,7-9H2,(H,22,23).

What are the key properties of N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine?

N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine has a molecular weight of 422.14 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine is sourced from PubChem (CID 139724919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).