2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol

C31H34N2O2 — CID 118671848

IUPAC2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol
SMILESCOc1ncc(-c2ccccc2)cc1C(c1ccccc1)C(O)(CCN(C)C)Cc1ccccc1
InChIInChI=1S/C31H34N2O2/c1-33(2)20-19-31(34,22-24-13-7-4-8-14-24)29(26-17-11-6-12-18-26)28-21-27(23-32-30(28)35-3)25-15-9-5-10-16-25/h4-18,21,23,29,34H,19-20,22H2,1-3H3
InChIKeyVGZXSOYMXCHKPY-UHFFFAOYSA-N
MW466.63 g/mol
LogP5.81
Rot. Bonds10

About 2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol

2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol (PubChem CID 118671848) has the molecular formula C31H34N2O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol
PubChem CID118671848
Molecular FormulaC31H34N2O2
Molecular Weight466.63 g/mol
Exact Mass466.26
IUPAC Name2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol
SMILESCOc1ncc(-c2ccccc2)cc1C(c1ccccc1)C(O)(CCN(C)C)Cc1ccccc1
InChIInChI=1S/C31H34N2O2/c1-33(2)20-19-31(34,22-24-13-7-4-8-14-24)29(26-17-11-6-12-18-26)28-21-27(23-32-30(28)35-3)25-15-9-5-10-16-25/h4-18,21,23,29,34H,19-20,22H2,1-3H3
InChIKeyVGZXSOYMXCHKPY-UHFFFAOYSA-N
XLogP5.81
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane
CID 144997558
3-benzyl-3-hydroxy-4-(2-methoxy-5-phenyl-3-pyridinyl)-4-phenylbutanal
CID 118671989
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-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 174985178
4-(dimethylamino)-1-[2-methoxy-5-(1-methylacridin-4-yl)-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 151637427
5-[4-(dimethylamino)-2-hydroxy-2-naphthalen-1-yl-1-phenylbutyl]-6-methoxypyridine-3-carbaldehyde
CID 118671827
(1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 124581629
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
1-(2-chloro-6-methoxythieno[2,3-b]pyridin-5-yl)-4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol
CID 141430733
7-[benzyl(methyl)amino]-3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-phenylheptan-3-ol
CID 59200518
4-(dimethylamino)-1-(2-methoxy-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 118671929

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol?
The IUPAC name of 2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol (CID 118671848) is 2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol.
What is the SMILES notation for 2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol?
The canonical SMILES for 2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol is COc1ncc(-c2ccccc2)cc1C(c1ccccc1)C(O)(CCN(C)C)Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol?
The InChIKey is VGZXSOYMXCHKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O2/c1-33(2)20-19-31(34,22-24-13-7-4-8-14-24)29(26-17-11-6-12-18-26)28-21-27(23-32-30(28)35-3)25-15-9-5-10-16-25/h4-18,21,23,29,34H,19-20,22H2,1-3H3.
What are the key properties of 2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol?
2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol has a molecular weight of 466.63 g/mol, XLogP of 5.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1-phenylbutan-2-ol is sourced from PubChem (CID 118671848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).