(2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline

C12H17NO — CID 131014008

IUPAC(2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCCO[C@@H]1C[C@H](C)Nc2ccccc21
InChIInChI=1S/C12H17NO/c1-3-14-12-8-9(2)13-11-7-5-4-6-10(11)12/h4-7,9,12-13H,3,8H2,1-2H3/t9-,12+/m0/s1
InChIKeySTTSTBKEXQBPCI-JOYOIKCWSA-N
MW191.27 g/mol
LogP2.97
Rot. Bonds2

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

(2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 131014008) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID131014008
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCCO[C@@H]1C[C@H](C)Nc2ccccc21
InChIInChI=1S/C12H17NO/c1-3-14-12-8-9(2)13-11-7-5-4-6-10(11)12/h4-7,9,12-13H,3,8H2,1-2H3/t9-,12+/m0/s1
InChIKeySTTSTBKEXQBPCI-JOYOIKCWSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-4-butoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 25242139
4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82275853
(2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 76850618
4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106780808
2-methyl-4-pentyl-1,2,3,4-tetrahydroquinoline
CID 106778499
4-benzyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 79234771
2-methyl-4-[(4-propylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79233018
(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
2-methyl-4-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79234860
(2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 715781
2-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 3724874
N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide
CID 793420

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline (CID 131014008) is (2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline is CCO[C@@H]1C[C@H](C)Nc2ccccc21.
What is the InChIKey of (2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is STTSTBKEXQBPCI-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-14-12-8-9(2)13-11-7-5-4-6-10(11)12/h4-7,9,12-13H,3,8H2,1-2H3/t9-,12+/m0/s1.
What are the key properties of (2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline?
(2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 191.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 131014008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).