2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline

C16H25NO2 — CID 112589966

IUPAC2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cccc(OCCOC(C)(C)C)c2N1
InChIInChI=1S/C16H25NO2/c1-12-8-9-13-6-5-7-14(15(13)17-12)18-10-11-19-16(2,3)4/h5-7,12,17H,8-11H2,1-4H3
InChIKeyGOZJLKZCWRNZRR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.63
Rot. Bonds4

About 2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline

2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 112589966) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID112589966
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cccc(OCCOC(C)(C)C)c2N1
InChIInChI=1S/C16H25NO2/c1-12-8-9-13-6-5-7-14(15(13)17-12)18-10-11-19-16(2,3)4/h5-7,12,17H,8-11H2,1-4H3
InChIKeyGOZJLKZCWRNZRR-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]ethanol
CID 43197064
N-methyl-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]propanamide
CID 62324448
2-methyl-8-(oxan-4-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 62387152
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 169285678
2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide
CID 43825934
2-methyl-8-[(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)oxymethoxy]-1,2,3,4-tetrahydroquinoline
CID 141294273
[2-bromo-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 114880008
(1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939558
8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline
CID 83883204
8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 142738926
3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide
CID 62953750
1-(8-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylmethanamine
CID 84620735

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline (CID 112589966) is 2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline is CC1CCc2cccc(OCCOC(C)(C)C)c2N1.
What is the InChIKey of 2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is GOZJLKZCWRNZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-8-9-13-6-5-7-14(15(13)17-12)18-10-11-19-16(2,3)4/h5-7,12,17H,8-11H2,1-4H3.
What are the key properties of 2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline?
2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 263.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 112589966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).