1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline

C14H21NO — CID 150484308

IUPAC1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCOCCC1NCCc2c(C)cccc21
InChIInChI=1S/C14H21NO/c1-3-16-10-8-14-13-6-4-5-11(2)12(13)7-9-15-14/h4-6,14-15H,3,7-10H2,1-2H3
InChIKeyHUMBNEUXXCCDOA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.61
Rot. Bonds4

About 1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline

1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 150484308) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID150484308
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCOCCC1NCCc2c(C)cccc21
InChIInChI=1S/C14H21NO/c1-3-16-10-8-14-13-6-4-5-11(2)12(13)7-9-15-14/h4-6,14-15H,3,7-10H2,1-2H3
InChIKeyHUMBNEUXXCCDOA-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781714
5-chloro-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 62374078
3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)aniline
CID 83970453
ethyl 2-(5-iodo-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
CID 86711321
4-propyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
CID 55068561
5-methoxy-1-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline
CID 106779765
1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole
CID 106458136
1-ethoxy-3-(2-ethoxyethyl)-7-methyl-3H-2,1λ5-benzoxaphosphole 1-oxide
CID 118213342
1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 119082441
1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106777920
1-ethyl-8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83355681
(1R)-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 134159261

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline (CID 150484308) is 1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline is CCOCCC1NCCc2c(C)cccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HUMBNEUXXCCDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-16-10-8-14-13-6-4-5-11(2)12(13)7-9-15-14/h4-6,14-15H,3,7-10H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline?
1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 219.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 150484308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).