3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline

C12H17NO — CID 62375759

IUPAC3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1Cc2ccc(OC)cc2CN1
InChIInChI=1S/C12H17NO/c1-3-11-6-9-4-5-12(14-2)7-10(9)8-13-11/h4-5,7,11,13H,3,6,8H2,1-2H3
InChIKeyZKSYYPPTJRFDRP-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.12
Rot. Bonds2

About 3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline

3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62375759) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID62375759
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1Cc2ccc(OC)cc2CN1
InChIInChI=1S/C12H17NO/c1-3-11-6-9-4-5-12(14-2)7-10(9)8-13-11/h4-5,7,11,13H,3,6,8H2,1-2H3
InChIKeyZKSYYPPTJRFDRP-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine
CID 105476247
[(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 130682443
3-ethyl-7-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 83970711
3,6,7-triethyl-1,2,3,4-tetrahydroisoquinoline
CID 134425720
(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 131025344
6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20566245
N-ethyl-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 23397076
N-ethyl-N-[(3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]ethanamine
CID 83957160
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
2-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indene
CID 134338473
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
3-ethyl-6-methoxy-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine
CID 79367813

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 62375759) is 3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline is CCC1Cc2ccc(OC)cc2CN1.
What is the InChIKey of 3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZKSYYPPTJRFDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-11-6-9-4-5-12(14-2)7-10(9)8-13-11/h4-5,7,11,13H,3,6,8H2,1-2H3.
What are the key properties of 3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline?
3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 191.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62375759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).