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

C23H24Cl2N2O — CID 90669312

IUPAC1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butan-2-ylamino)ethanol
SMILESCCC(C)NCC(O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H24Cl2N2O/c1-3-15(2)26-14-23(28)18-12-21(16-4-8-19(24)9-5-16)27-22(13-18)17-6-10-20(25)11-7-17/h4-13,15,23,26,28H,3,14H2,1-2H3
InChIKeyXWIOBZKKWWYXIG-UHFFFAOYSA-N
MW415.36 g/mol
LogP6.14
Rot. Bonds7

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

1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butan-2-ylamino)ethanol (PubChem CID 90669312) 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-(butan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butan-2-ylamino)ethanol
PubChem CID90669312
Molecular FormulaC23H24Cl2N2O
Molecular Weight415.36 g/mol
Exact Mass414.13
IUPAC Name1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butan-2-ylamino)ethanol
SMILESCCC(C)NCC(O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H24Cl2N2O/c1-3-15(2)26-14-23(28)18-12-21(16-4-8-19(24)9-5-16)27-22(13-18)17-6-10-20(25)11-7-17/h4-13,15,23,26,28H,3,14H2,1-2H3
InChIKeyXWIOBZKKWWYXIG-UHFFFAOYSA-N
XLogP6.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.36
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butan-2-ylamino)ethanol?
The IUPAC name of 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butan-2-ylamino)ethanol (CID 90669312) is 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butan-2-ylamino)ethanol.
What is the SMILES notation for 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butan-2-ylamino)ethanol?
The canonical SMILES for 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butan-2-ylamino)ethanol is CCC(C)NCC(O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butan-2-ylamino)ethanol?
The InChIKey is XWIOBZKKWWYXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O/c1-3-15(2)26-14-23(28)18-12-21(16-4-8-19(24)9-5-16)27-22(13-18)17-6-10-20(25)11-7-17/h4-13,15,23,26,28H,3,14H2,1-2H3.
What are the key properties of 1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butan-2-ylamino)ethanol?
1-[2,6-bis(4-chlorophenyl)-4-pyridinyl]-2-(butan-2-ylamino)ethanol has a molecular weight of 415.36 g/mol, XLogP of 6.14, 7 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-(butan-2-ylamino)ethanol is sourced from PubChem (CID 90669312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).