3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline

C12H17NO2 — CID 57137964

IUPAC3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline
SMILESCOCOCC1CNc2ccccc2C1
InChIInChI=1S/C12H17NO2/c1-14-9-15-8-10-6-11-4-2-3-5-12(11)13-7-10/h2-5,10,13H,6-9H2,1H3
InChIKeyPLRPAEJUFVQCQI-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.89
Rot. Bonds4

About 3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline

3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 57137964) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID57137964
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline
SMILESCOCOCC1CNc2ccccc2C1
InChIInChI=1S/C12H17NO2/c1-14-9-15-8-10-6-11-4-2-3-5-12(11)13-7-10/h2-5,10,13H,6-9H2,1H3
InChIKeyPLRPAEJUFVQCQI-UHFFFAOYSA-N
XLogP1.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 76504253
3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106777711
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-[2-(2-methoxyethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 107387379
3-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 155943544
(3S)-3-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 70239123
3-(azetidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105454799
3-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778280
4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine
CID 106902332
3-[3-(2-methoxyethoxy)propoxy]-1,2,3,4-tetrahydroquinoline
CID 107387405

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline (CID 57137964) is 3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline is COCOCC1CNc2ccccc2C1.
What is the InChIKey of 3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is PLRPAEJUFVQCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-9-15-8-10-6-11-4-2-3-5-12(11)13-7-10/h2-5,10,13H,6-9H2,1H3.
What are the key properties of 3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline?
3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 207.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxymethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 57137964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).