(2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine

C23H24N2O — CID 73352250

IUPAC(2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine
SMILESCOc1ccc([C@@H]2c3cccc(N)c3N[C@H](c3ccccc3)[C@H]2C)cc1
InChIInChI=1S/C23H24N2O/c1-15-21(16-11-13-18(26-2)14-12-16)19-9-6-10-20(24)23(19)25-22(15)17-7-4-3-5-8-17/h3-15,21-22,25H,24H2,1-2H3/t15-,21+,22-/m0/s1
InChIKeyXKVWXIULPWMZQP-ARBPTSGCSA-N
MW344.46 g/mol
LogP5.21
Rot. Bonds3

About (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine

(2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine (PubChem CID 73352250) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine
PubChem CID73352250
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name(2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine
SMILESCOc1ccc([C@@H]2c3cccc(N)c3N[C@H](c3ccccc3)[C@H]2C)cc1
InChIInChI=1S/C23H24N2O/c1-15-21(16-11-13-18(26-2)14-12-16)19-9-6-10-20(24)23(19)25-22(15)17-7-4-3-5-8-17/h3-15,21-22,25H,24H2,1-2H3/t15-,21+,22-/m0/s1
InChIKeyXKVWXIULPWMZQP-ARBPTSGCSA-N
XLogP5.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine?
The IUPAC name of (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine (CID 73352250) is (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine.
What is the SMILES notation for (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine?
The canonical SMILES for (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine is COc1ccc([C@@H]2c3cccc(N)c3N[C@H](c3ccccc3)[C@H]2C)cc1.
What is the InChIKey of (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine?
The InChIKey is XKVWXIULPWMZQP-ARBPTSGCSA-N. The full InChI is InChI=1S/C23H24N2O/c1-15-21(16-11-13-18(26-2)14-12-16)19-9-6-10-20(24)23(19)25-22(15)17-7-4-3-5-8-17/h3-15,21-22,25H,24H2,1-2H3/t15-,21+,22-/m0/s1.
What are the key properties of (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine?
(2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine has a molecular weight of 344.46 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-8-amine is sourced from PubChem (CID 73352250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).