1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol

C33H32N2O2 — CID 174985084

IUPAC1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol
SMILESCOc1ncc(-c2ccccc2)cc1C(N)(c1ccccc1)C(O)(c1cccc2ccccc12)C(C)C
InChIInChI=1S/C33H32N2O2/c1-23(2)33(36,29-20-12-16-25-15-10-11-19-28(25)29)32(34,27-17-8-5-9-18-27)30-21-26(22-35-31(30)37-3)24-13-6-4-7-14-24/h4-23,36H,34H2,1-3H3
InChIKeyJUOXLNPMYCWIQU-UHFFFAOYSA-N
MW488.63 g/mol
LogP6.66
Rot. Bonds7

About 1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol

1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol (PubChem CID 174985084) has the molecular formula C33H32N2O2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol.

Molecular Properties

Compound Name1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol
PubChem CID174985084
Molecular FormulaC33H32N2O2
Molecular Weight488.63 g/mol
Exact Mass488.25
IUPAC Name1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol
SMILESCOc1ncc(-c2ccccc2)cc1C(N)(c1ccccc1)C(O)(c1cccc2ccccc12)C(C)C
InChIInChI=1S/C33H32N2O2/c1-23(2)33(36,29-20-12-16-25-15-10-11-19-28(25)29)32(34,27-17-8-5-9-18-27)30-21-26(22-35-31(30)37-3)24-13-6-4-7-14-24/h4-23,36H,34H2,1-3H3
InChIKeyJUOXLNPMYCWIQU-UHFFFAOYSA-N
XLogP6.66
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol with MolForge

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Related Compounds

1-(2-methoxy-5-phenyl-3-pyridinyl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 174985178
1-[5-(3,4-difluorophenyl)-2-methoxy-3-pyridinyl]-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 118672049
2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid
CID 167442844
2-methoxy-3-methyl-5-phenylpyridine
CID 46315013
4-(dimethylamino)-1-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 129135248
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
4-(dimethylamino)-1-(2-methoxy-5-phenyl-3-pyridinyl)-1,2-diphenylbutan-2-ol;ethane
CID 144997558
5-[4-(dimethylamino)-2-hydroxy-2-naphthalen-1-yl-1-phenylbutyl]-6-methoxypyridine-3-carbaldehyde
CID 118671827
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604
(1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 124581629
1-amino-2-naphthalen-1-yl-1-phenylpropan-1-ol;hydrochloride
CID 174387641
3-fluoro-2-methoxy-5-(3-propan-2-ylphenyl)pyridine
CID 167219030

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol?
The IUPAC name of 1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol (CID 174985084) is 1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol.
What is the SMILES notation for 1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol?
The canonical SMILES for 1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol is COc1ncc(-c2ccccc2)cc1C(N)(c1ccccc1)C(O)(c1cccc2ccccc12)C(C)C.
What is the InChIKey of 1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol?
The InChIKey is JUOXLNPMYCWIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O2/c1-23(2)33(36,29-20-12-16-25-15-10-11-19-28(25)29)32(34,27-17-8-5-9-18-27)30-21-26(22-35-31(30)37-3)24-13-6-4-7-14-24/h4-23,36H,34H2,1-3H3.
What are the key properties of 1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol?
1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol has a molecular weight of 488.63 g/mol, XLogP of 6.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-methoxy-5-phenyl-3-pyridinyl)-3-methyl-2-naphthalen-1-yl-1-phenylbutan-2-ol is sourced from PubChem (CID 174985084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).