5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline

C14H21NO — CID 103045046

IUPAC5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)CCOc1cccc2c1CCCN2
InChIInChI=1S/C14H21NO/c1-11(2)8-10-16-14-7-3-6-13-12(14)5-4-9-15-13/h3,6-7,11,15H,4-5,8-10H2,1-2H3
InChIKeyJYCGERIELSPGPK-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.47
Rot. Bonds4

About 5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline

5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 103045046) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID103045046
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)CCOc1cccc2c1CCCN2
InChIInChI=1S/C14H21NO/c1-11(2)8-10-16-14-7-3-6-13-12(14)5-4-9-15-13/h3,6-7,11,15H,4-5,8-10H2,1-2H3
InChIKeyJYCGERIELSPGPK-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,3,4-tetrahydroquinolin-5-yloxy)ethanamine
CID 84664284
5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 103180421
5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075184
5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 10358078
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
3-(1,2,3,4-tetrahydroquinolin-5-yloxy)propane-1,2-diol
CID 103045086
5-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075173
5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075120
5-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 103045048
5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075088
5-[(1-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075157
5-[(3-methylcyclopentyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075113

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline (CID 103045046) is 5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline is CC(C)CCOc1cccc2c1CCCN2.
What is the InChIKey of 5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is JYCGERIELSPGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)8-10-16-14-7-3-6-13-12(14)5-4-9-15-13/h3,6-7,11,15H,4-5,8-10H2,1-2H3.
What are the key properties of 5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline?
5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 219.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 103045046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).