(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline

C12H17N — CID 15312191

IUPAC(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC[C@H]1Nc2ccccc2C[C@H]1C
InChIInChI=1S/C12H17N/c1-3-11-9(2)8-10-6-4-5-7-12(10)13-11/h4-7,9,11,13H,3,8H2,1-2H3/t9-,11-/m1/s1
InChIKeyZBOCLUCAMWTOOV-MWLCHTKSSA-N
MW175.28 g/mol
LogP3.07
Rot. Bonds1

About (2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline

(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 15312191) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID15312191
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC[C@H]1Nc2ccccc2C[C@H]1C
InChIInChI=1S/C12H17N/c1-3-11-9(2)8-10-6-4-5-7-12(10)13-11/h4-7,9,11,13H,3,8H2,1-2H3/t9-,11-/m1/s1
InChIKeyZBOCLUCAMWTOOV-MWLCHTKSSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139326096
2-(2-cyclopropylethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106779885
2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106778414
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
(2S,3S)-2-ethyl-6-fluoro-3-methyl-1,2,3,4-tetrahydroquinoline
CID 42599529
2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106777861
2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106780430
(2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139325811
(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591
(3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydronaphthalene
CID 163672179
3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106780034
2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106781039

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline (CID 15312191) is (2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline is CC[C@H]1Nc2ccccc2C[C@H]1C.
What is the InChIKey of (2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZBOCLUCAMWTOOV-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H17N/c1-3-11-9(2)8-10-6-4-5-7-12(10)13-11/h4-7,9,11,13H,3,8H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline?
(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 175.28 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 15312191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).