(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline

C11H15N — CID 102507922

IUPAC(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
SMILESC[C@@H]1Nc2ccccc2C[C@@H]1C
InChIInChI=1S/C11H15N/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h3-6,8-9,12H,7H2,1-2H3/t8-,9-/m0/s1
InChIKeySLSDPKHJHDRZFN-IUCAKERBSA-N
MW161.25 g/mol
LogP2.68
Rot. Bonds

About (2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline

(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline (PubChem CID 102507922) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
PubChem CID102507922
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
SMILESC[C@@H]1Nc2ccccc2C[C@@H]1C
InChIInChI=1S/C11H15N/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h3-6,8-9,12H,7H2,1-2H3/t8-,9-/m0/s1
InChIKeySLSDPKHJHDRZFN-IUCAKERBSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139325811
(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 15312191
(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591
1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone
CID 15269713
(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)methanol
CID 123241358
(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139326096
2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106781039
2-(2-cyclopropylethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106779885
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
2-(3,4-dimethylcyclohexyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106779529
1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
CID 135040904
3-methyl-2-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 115503214

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline (CID 102507922) is (2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline is C[C@@H]1Nc2ccccc2C[C@@H]1C.
What is the InChIKey of (2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is SLSDPKHJHDRZFN-IUCAKERBSA-N. The full InChI is InChI=1S/C11H15N/c1-8-7-10-5-3-4-6-11(10)12-9(8)2/h3-6,8-9,12H,7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline?
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 161.25 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 102507922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).