(2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline

C22H21N — CID 15312192

IUPAC(2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(C[C@H]2Nc3ccccc3C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H21N/c1-3-9-17(10-4-1)15-22-20(18-11-5-2-6-12-18)16-19-13-7-8-14-21(19)23-22/h1-14,20,22-23H,15-16H2/t20-,22-/m1/s1
InChIKeyZUGWOUCWLZMYPE-IFMALSPDSA-N
MW299.42 g/mol
LogP5.05
Rot. Bonds3

About (2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline

(2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline (PubChem CID 15312192) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is (2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline
PubChem CID15312192
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name(2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(C[C@H]2Nc3ccccc3C[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C22H21N/c1-3-9-17(10-4-1)15-22-20(18-11-5-2-6-12-18)16-19-13-7-8-14-21(19)23-22/h1-14,20,22-23H,15-16H2/t20-,22-/m1/s1
InChIKeyZUGWOUCWLZMYPE-IFMALSPDSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Nomifensine
CID 4528
Dimetacrine
CID 94280
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
Acridan
CID 7106
1,2,3,4-Tetrahydroquinoline
CID 69460
9,9-Dimethyl-9,10-dihydroacridine
CID 22647
(S)-Nomifensine
CID 55993
(+)-Nomifensine
CID 12884652
N-phenyl-1-(2-phenylethyl)-4-piperidinamine
CID 88890
alpha,alpha'-Dianilino-p-xylene
CID 607368
N-Phenyl-1-(phenylmethyl)-4-piperidinamine
CID 70865
1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline (CID 15312192) is (2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline is c1ccc(C[C@H]2Nc3ccccc3C[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZUGWOUCWLZMYPE-IFMALSPDSA-N. The full InChI is InChI=1S/C22H21N/c1-3-9-17(10-4-1)15-22-20(18-11-5-2-6-12-18)16-19-13-7-8-14-21(19)23-22/h1-14,20,22-23H,15-16H2/t20-,22-/m1/s1.
What are the key properties of (2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline?
(2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 299.42 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 15312192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).