(2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine

C30H30N2 — CID 134936110

IUPAC(2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCc1ccc(N[C@@H]2c3cc(C)ccc3N[C@H](Cc3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C30H30N2/c1-21-13-16-25(17-14-21)31-30-26-19-22(2)15-18-27(26)32-28(20-23-9-5-3-6-10-23)29(30)24-11-7-4-8-12-24/h3-19,28-32H,20H2,1-2H3/t28-,29-,30-/m1/s1
InChIKeyORTSFXUUHBSGKB-IDZRBWSNSA-N
MW418.58 g/mol
LogP7.28
Rot. Bonds5

About (2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine

(2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 134936110) has the molecular formula C30H30N2 and a molecular weight of 418.58 g/mol. Its IUPAC name is (2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name(2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID134936110
Molecular FormulaC30H30N2
Molecular Weight418.58 g/mol
Exact Mass418.24
IUPAC Name(2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCc1ccc(N[C@@H]2c3cc(C)ccc3N[C@H](Cc3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C30H30N2/c1-21-13-16-25(17-14-21)31-30-26-19-22(2)15-18-27(26)32-28(20-23-9-5-3-6-10-23)29(30)24-11-7-4-8-12-24/h3-19,28-32H,20H2,1-2H3/t28-,29-,30-/m1/s1
InChIKeyORTSFXUUHBSGKB-IDZRBWSNSA-N
XLogP7.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine with MolForge

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Related Compounds

(2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 7329767
(2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole
CID 7057699
(2S,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoxaline
CID 132596105
3-benzyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687004
2-butyl-3-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indole
CID 155678071
[(1R,2S,10R,11R,12S)-5-methyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-trien-10-yl]methanol
CID 46177807
5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole
CID 156800165
5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one
CID 43194106
(2R,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoline
CID 15312192
ethane;5-methyl-2-methylidene-3-phenyl-1,3-dihydroindole
CID 156800164
(2R,3R)-2-benzyl-3-methylaziridine
CID 15621251
(1S,2R)-7-methyl-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 125482901

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of (2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine (CID 134936110) is (2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for (2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for (2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine is Cc1ccc(N[C@@H]2c3cc(C)ccc3N[C@H](Cc3ccccc3)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is ORTSFXUUHBSGKB-IDZRBWSNSA-N. The full InChI is InChI=1S/C30H30N2/c1-21-13-16-25(17-14-21)31-30-26-19-22(2)15-18-27(26)32-28(20-23-9-5-3-6-10-23)29(30)24-11-7-4-8-12-24/h3-19,28-32H,20H2,1-2H3/t28-,29-,30-/m1/s1.
What are the key properties of (2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
(2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 418.58 g/mol, XLogP of 7.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 134936110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).