4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane

C32H38N2O2 — CID 144997558

IUPAC4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane
SMILESCC.COc1ncc(-c2ccccc2)cc1C(c1ccccc1)C(O)(CCN(C)C)c1ccccc1
InChIInChI=1S/C30H32N2O2.C2H6/c1-32(2)20-19-30(33,26-17-11-6-12-18-26)28(24-15-9-5-10-16-24)27-21-25(22-31-29(27)34-3)23-13-7-4-8-14-23;1-2/h4-18,21-22,28,33H,19-20H2,1-3H3;1-2H3
InChIKeyGZQKVQJXBIOYDH-UHFFFAOYSA-N
MW482.67 g/mol
LogP6.75
Rot. Bonds9

About 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane

4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane (PubChem CID 144997558) has the molecular formula C32H38N2O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane.

Molecular Properties

Compound Name4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane
PubChem CID144997558
Molecular FormulaC32H38N2O2
Molecular Weight482.67 g/mol
Exact Mass482.29
IUPAC Name4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane
SMILESCC.COc1ncc(-c2ccccc2)cc1C(c1ccccc1)C(O)(CCN(C)C)c1ccccc1
InChIInChI=1S/C30H32N2O2.C2H6/c1-32(2)20-19-30(33,26-17-11-6-12-18-26)28(24-15-9-5-10-16-24)27-21-25(22-31-29(27)34-3)23-13-7-4-8-14-23;1-2/h4-18,21-22,28,33H,19-20H2,1-3H3;1-2H3
InChIKeyGZQKVQJXBIOYDH-UHFFFAOYSA-N
XLogP6.75
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane?
The IUPAC name of 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane (CID 144997558) is 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane.
What is the SMILES notation for 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane?
The canonical SMILES for 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane is CC.COc1ncc(-c2ccccc2)cc1C(c1ccccc1)C(O)(CCN(C)C)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane?
The InChIKey is GZQKVQJXBIOYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2.C2H6/c1-32(2)20-19-30(33,26-17-11-6-12-18-26)28(24-15-9-5-10-16-24)27-21-25(22-31-29(27)34-3)23-13-7-4-8-14-23;1-2/h4-18,21-22,28,33H,19-20H2,1-3H3;1-2H3.
What are the key properties of 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane?
4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane has a molecular weight of 482.67 g/mol, XLogP of 6.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane is sourced from PubChem (CID 144997558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).