1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol

C23H24Cl2N2O — CID 630121

IUPAC1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol
SMILESCCCCNCC(O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H24Cl2N2O/c1-2-3-12-26-15-23(28)18-13-21(16-4-8-19(24)9-5-16)27-22(14-18)17-6-10-20(25)11-7-17/h4-11,13-14,23,26,28H,2-3,12,15H2,1H3
InChIKeyQUSODUKQARGYJT-UHFFFAOYSA-N
MW415.36 g/mol
LogP6.15
Rot. Bonds8

About 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol

1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol (PubChem CID 630121) has the molecular formula C23H24Cl2N2O and a molecular weight of 415.36 g/mol. Its IUPAC name is 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol.

Molecular Properties

Compound Name1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol
PubChem CID630121
Molecular FormulaC23H24Cl2N2O
Molecular Weight415.36 g/mol
Exact Mass414.13
IUPAC Name1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol
SMILESCCCCNCC(O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H24Cl2N2O/c1-2-3-12-26-15-23(28)18-13-21(16-4-8-19(24)9-5-16)27-22(14-18)17-6-10-20(25)11-7-17/h4-11,13-14,23,26,28H,2-3,12,15H2,1H3
InChIKeyQUSODUKQARGYJT-UHFFFAOYSA-N
XLogP6.15
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.36
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol?
The IUPAC name of 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol (CID 630121) is 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol.
What is the SMILES notation for 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol?
The canonical SMILES for 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol is CCCCNCC(O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol?
The InChIKey is QUSODUKQARGYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O/c1-2-3-12-26-15-23(28)18-13-21(16-4-8-19(24)9-5-16)27-22(14-18)17-6-10-20(25)11-7-17/h4-11,13-14,23,26,28H,2-3,12,15H2,1H3.
What are the key properties of 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol?
1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol has a molecular weight of 415.36 g/mol, XLogP of 6.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butylamino)ethanol is sourced from PubChem (CID 630121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).