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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Related Compounds

2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol
CID 118671848
4-(dimethylamino)-1-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 129135248
1-[5-(3,4-difluorophenyl)-2-methoxy-3-pyridinyl]-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 118672049
1-(7-bromo-2-methoxy-7H-cyclohepta[b]pyridin-3-yl)-4-(dimethylamino)-1,2-diphenylbutan-2-ol
CID 142854962
1-(2-chloro-6-methoxythieno[2,3-b]pyridin-5-yl)-4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol
CID 141430733
1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 174985178
(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(4-iodophenyl)-1-phenylbutan-2-ol
CID 151186743
5-[4-(dimethylamino)-2-hydroxy-2-naphthalen-1-yl-1-phenylbutyl]-6-methoxypyridine-3-carbaldehyde
CID 118671827
4-(dimethylamino)-1-[2-methoxy-5-(1-methylacridin-4-yl)-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 151637427
(1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 124581629
3-benzyl-3-hydroxy-4-(2-methoxy-5-phenyl-3-pyridinyl)-4-phenylbutanal
CID 118671989
4-(dimethylamino)-1-[2-methoxy-5-[(E)-5-methylsulfanylpent-2-en-3-yl]-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 129156873

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).