(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline

C12H17NO — CID 131025344

IUPAC(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCC[C@H]1CCc2cc(OC)ccc2N1
InChIInChI=1S/C12H17NO/c1-3-10-5-4-9-8-11(14-2)6-7-12(9)13-10/h6-8,10,13H,3-5H2,1-2H3/t10-/m0/s1
InChIKeyNPPNZZCXZJPEIA-JTQLQIEISA-N
MW191.27 g/mol
LogP2.83
Rot. Bonds2

About (2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline

(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 131025344) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID131025344
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCC[C@H]1CCc2cc(OC)ccc2N1
InChIInChI=1S/C12H17NO/c1-3-10-5-4-9-8-11(14-2)6-7-12(9)13-10/h6-8,10,13H,3-5H2,1-2H3/t10-/m0/s1
InChIKeyNPPNZZCXZJPEIA-JTQLQIEISA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(6-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanol
CID 105460503
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494
(2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium
CID 163552532
[(2R)-7-methoxy-1,2,3,4-tetrahydroquinolin-2-yl]methanol
CID 130625960
(2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 142935353
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde
CID 140970249
7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 12827785
1-(5-methoxy-2,3-dihydro-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 84739877
2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde
CID 112710978
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride
CID 70503014
2-ethyl-6-methoxy-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620800
3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375759

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline (CID 131025344) is (2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline is CC[C@H]1CCc2cc(OC)ccc2N1.
What is the InChIKey of (2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is NPPNZZCXZJPEIA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO/c1-3-10-5-4-9-8-11(14-2)6-7-12(9)13-10/h6-8,10,13H,3-5H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline?
(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 191.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 131025344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).