2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine

C25H30N2O2 — CID 71605377

IUPAC2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine
SMILESCc1ccc(OCCCc2cc(N)cc(CCCOc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C25H30N2O2/c1-19-7-11-24(12-8-19)28-15-3-5-22-17-21(26)18-23(27-22)6-4-16-29-25-13-9-20(2)10-14-25/h7-14,17-18H,3-6,15-16H2,1-2H3,(H2,26,27)
InChIKeyQFABWSMCBRDEAQ-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.30
Rot. Bonds10

About 2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine

2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine (PubChem CID 71605377) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine.

Molecular Properties

Compound Name2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine
PubChem CID71605377
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine
SMILESCc1ccc(OCCCc2cc(N)cc(CCCOc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C25H30N2O2/c1-19-7-11-24(12-8-19)28-15-3-5-22-17-21(26)18-23(27-22)6-4-16-29-25-13-9-20(2)10-14-25/h7-14,17-18H,3-6,15-16H2,1-2H3,(H2,26,27)
InChIKeyQFABWSMCBRDEAQ-UHFFFAOYSA-N
XLogP5.30
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine?
The IUPAC name of 2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine (CID 71605377) is 2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine.
What is the SMILES notation for 2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine?
The canonical SMILES for 2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine is Cc1ccc(OCCCc2cc(N)cc(CCCOc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine?
The InChIKey is QFABWSMCBRDEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-19-7-11-24(12-8-19)28-15-3-5-22-17-21(26)18-23(27-22)6-4-16-29-25-13-9-20(2)10-14-25/h7-14,17-18H,3-6,15-16H2,1-2H3,(H2,26,27).
What are the key properties of 2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine?
2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine has a molecular weight of 390.53 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-(4-methylphenoxy)propyl]pyridin-4-amine is sourced from PubChem (CID 71605377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).