(2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine

C20H26N2 — CID 7329767

IUPAC(2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCC[C@H]1Nc2ccc(C)cc2[C@@H](Nc2ccc(C)cc2)[C@H]1C
InChIInChI=1S/C20H26N2/c1-5-18-15(4)20(21-16-9-6-13(2)7-10-16)17-12-14(3)8-11-19(17)22-18/h6-12,15,18,20-22H,5H2,1-4H3/t15-,18+,20-/m0/s1
InChIKeyKPYCVMHJVPEANK-CVAIRZPRSA-N
MW294.44 g/mol
LogP5.30
Rot. Bonds3

About (2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine

(2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 7329767) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name(2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID7329767
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name(2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCC[C@H]1Nc2ccc(C)cc2[C@@H](Nc2ccc(C)cc2)[C@H]1C
InChIInChI=1S/C20H26N2/c1-5-18-15(4)20(21-16-9-6-13(2)7-10-16)17-12-14(3)8-11-19(17)22-18/h6-12,15,18,20-22H,5H2,1-4H3/t15-,18+,20-/m0/s1
InChIKeyKPYCVMHJVPEANK-CVAIRZPRSA-N
XLogP5.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine with MolForge

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Related Compounds

(2S,3R,4R)-2-ethyl-6-iodo-N-(4-iodophenyl)-3-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 100908510
(2R,3R,4S)-2-benzyl-6-methyl-N-(4-methylphenyl)-3-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 134936110
(2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 76850618
[(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
7-methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
CID 84654717
(4aR,9aR)-6-methyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 7007370
4-[[(2S,3R)-1-acetyl-2-cyclopropyl-3,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]amino]-N-methylbenzamide
CID 167024686
2,2,3,5-tetramethyl-1,3-dihydroindole
CID 117193754
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
3-(4-ethoxyanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43191389
1-[(2S,3R,4R)-2-cyclopropyl-3-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118673230

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of (2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine (CID 7329767) is (2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for (2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for (2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine is CC[C@H]1Nc2ccc(C)cc2[C@@H](Nc2ccc(C)cc2)[C@H]1C.
What is the InChIKey of (2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is KPYCVMHJVPEANK-CVAIRZPRSA-N. The full InChI is InChI=1S/C20H26N2/c1-5-18-15(4)20(21-16-9-6-13(2)7-10-16)17-12-14(3)8-11-19(17)22-18/h6-12,15,18,20-22H,5H2,1-4H3/t15-,18+,20-/m0/s1.
What are the key properties of (2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine?
(2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 294.44 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-ethyl-3,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 7329767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).