3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline

C15H23NO — CID 106777711

IUPAC3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline
SMILESCOC(C)(C)CCC1CNc2ccccc2C1
InChIInChI=1S/C15H23NO/c1-15(2,17-3)9-8-12-10-13-6-4-5-7-14(13)16-11-12/h4-7,12,16H,8-11H2,1-3H3
InChIKeyHDFKCGUSHRMCQO-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.48
Rot. Bonds4

About 3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline

3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106777711) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline
PubChem CID106777711
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline
SMILESCOC(C)(C)CCC1CNc2ccccc2C1
InChIInChI=1S/C15H23NO/c1-15(2,17-3)9-8-12-10-13-6-4-5-7-14(13)16-11-12/h4-7,12,16H,8-11H2,1-3H3
InChIKeyHDFKCGUSHRMCQO-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 76504253
3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline
CID 57137964
3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 106779338
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 155943544
3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine
CID 106902239
3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105454799
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 70239123
3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778280
3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,3,4-tetrahydroquinoline
CID 106778836
N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901965

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline (CID 106777711) is 3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline is COC(C)(C)CCC1CNc2ccccc2C1.
What is the InChIKey of 3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is HDFKCGUSHRMCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,17-3)9-8-12-10-13-6-4-5-7-14(13)16-11-12/h4-7,12,16H,8-11H2,1-3H3.
What are the key properties of 3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline?
3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 233.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106777711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).