(2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline

C13H19NO — CID 76850618

IUPAC(2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline
SMILESCCO[C@H]1C[C@@H](C)Nc2ccc(C)cc21
InChIInChI=1S/C13H19NO/c1-4-15-13-8-10(3)14-12-6-5-9(2)7-11(12)13/h5-7,10,13-14H,4,8H2,1-3H3/t10-,13+/m1/s1
InChIKeyHGKYVZNOMXOEKP-MFKMUULPSA-N
MW205.30 g/mol
LogP3.28
Rot. Bonds2

About (2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline

(2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline (PubChem CID 76850618) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline
PubChem CID76850618
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline
SMILESCCO[C@H]1C[C@@H](C)Nc2ccc(C)cc21
InChIInChI=1S/C13H19NO/c1-4-15-13-8-10(3)14-12-6-5-9(2)7-11(12)13/h5-7,10,13-14H,4,8H2,1-3H3/t10-,13+/m1/s1
InChIKeyHGKYVZNOMXOEKP-MFKMUULPSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,4S)-4-ethoxy-2,6-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

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline (CID 76850618) is (2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline is CCO[C@H]1C[C@@H](C)Nc2ccc(C)cc21.
What is the InChIKey of (2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HGKYVZNOMXOEKP-MFKMUULPSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-15-13-8-10(3)14-12-6-5-9(2)7-11(12)13/h5-7,10,13-14H,4,8H2,1-3H3/t10-,13+/m1/s1.
What are the key properties of (2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline?
(2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 205.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-ethoxy-2,6-dimethyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 76850618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).