4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol

C23H24N2O2 — CID 73355246

IUPAC4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol
SMILESCOc1cc([C@@H]2c3cccc(N)c3N[C@H](c3ccccc3)[C@H]2C)ccc1O
InChIInChI=1S/C23H24N2O2/c1-14-21(16-11-12-19(26)20(13-16)27-2)17-9-6-10-18(24)23(17)25-22(14)15-7-4-3-5-8-15/h3-14,21-22,25-26H,24H2,1-2H3/t14-,21+,22-/m0/s1
InChIKeyYNKPXBYKHSVHEM-CUJSYCCXSA-N
MW360.46 g/mol
LogP4.92
Rot. Bonds3

About 4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol

4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol (PubChem CID 73355246) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol
PubChem CID73355246
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol
SMILESCOc1cc([C@@H]2c3cccc(N)c3N[C@H](c3ccccc3)[C@H]2C)ccc1O
InChIInChI=1S/C23H24N2O2/c1-14-21(16-11-12-19(26)20(13-16)27-2)17-9-6-10-18(24)23(17)25-22(14)15-7-4-3-5-8-15/h3-14,21-22,25-26H,24H2,1-2H3/t14-,21+,22-/m0/s1
InChIKeyYNKPXBYKHSVHEM-CUJSYCCXSA-N
XLogP4.92
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol?
The IUPAC name of 4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol (CID 73355246) is 4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol?
The canonical SMILES for 4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol is COc1cc([C@@H]2c3cccc(N)c3N[C@H](c3ccccc3)[C@H]2C)ccc1O.
What is the InChIKey of 4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol?
The InChIKey is YNKPXBYKHSVHEM-CUJSYCCXSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-14-21(16-11-12-19(26)20(13-16)27-2)17-9-6-10-18(24)23(17)25-22(14)15-7-4-3-5-8-15/h3-14,21-22,25-26H,24H2,1-2H3/t14-,21+,22-/m0/s1.
What are the key properties of 4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol?
4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol has a molecular weight of 360.46 g/mol, XLogP of 4.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S,4R)-8-amino-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-2-methoxyphenol is sourced from PubChem (CID 73355246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).