8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline

C16H23NO2 — CID 115075614

IUPAC8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC1(COc2cccc3c2NCCC3)CCCCO1
InChIInChI=1S/C16H23NO2/c1-16(9-2-3-11-19-16)12-18-14-8-4-6-13-7-5-10-17-15(13)14/h4,6,8,17H,2-3,5,7,9-12H2,1H3
InChIKeyNENASGVLKUBKTC-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.38
Rot. Bonds3

About 8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline

8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 115075614) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID115075614
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC1(COc2cccc3c2NCCC3)CCCCO1
InChIInChI=1S/C16H23NO2/c1-16(9-2-3-11-19-16)12-18-14-8-4-6-13-7-5-10-17-15(13)14/h4,6,8,17H,2-3,5,7,9-12H2,1H3
InChIKeyNENASGVLKUBKTC-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075064
8-[(1,3-dimethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075679
8-[(1,3-dimethylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075708
8-[(5,5-dimethyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 116522225
N-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine
CID 80645750
7-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074940
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715
8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline
CID 61027161
7-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074892
3-(2,3-dihydro-1H-indol-7-yloxymethyl)-3-methylthiane 1,1-dioxide
CID 115074990
8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
CID 16781925
3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
CID 61027554

Frequently Asked Questions

What is the IUPAC name of 8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 115075614) is 8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline is CC1(COc2cccc3c2NCCC3)CCCCO1.
What is the InChIKey of 8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is NENASGVLKUBKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(9-2-3-11-19-16)12-18-14-8-4-6-13-7-5-10-17-15(13)14/h4,6,8,17H,2-3,5,7,9-12H2,1H3.
What are the key properties of 8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 261.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).