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

C15H23NO — CID 83970711

IUPAC3-ethyl-7-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1Cc2ccc(OC)cc2C(C(C)C)N1
InChIInChI=1S/C15H23NO/c1-5-12-8-11-6-7-13(17-4)9-14(11)15(16-12)10(2)3/h6-7,9-10,12,15-16H,5,8H2,1-4H3
InChIKeyBTOKGPBFOKZORE-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.32
Rot. Bonds3

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

3-ethyl-7-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83970711) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-ethyl-7-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-ethyl-7-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID83970711
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-ethyl-7-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1Cc2ccc(OC)cc2C(C(C)C)N1
InChIInChI=1S/C15H23NO/c1-5-12-8-11-6-7-13(17-4)9-14(11)15(16-12)10(2)3/h6-7,9-10,12,15-16H,5,8H2,1-4H3
InChIKeyBTOKGPBFOKZORE-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-6-methoxy-2,3,4,4a,9,9a-hexahydroindeno[2,1-b][1,4]thiazine
CID 79367813
3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375759
(1S,9S,12S)-11-butan-2-yl-4-methoxy-12-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 175082506
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 83970537
2-[ethyl(2-methylpropyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374084
methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide
CID 19610257
2-ethyl-6-methoxy-1,2-dihydronaphthalene
CID 66750543
(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 131025344
6-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-yl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376099
(1S,3S)-3-butyl-1-(4-fluorophenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 155125158
2-butan-2-ylsulfonyl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375426

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-ethyl-7-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 83970711) is 3-ethyl-7-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-ethyl-7-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-ethyl-7-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is CCC1Cc2ccc(OC)cc2C(C(C)C)N1.
What is the InChIKey of 3-ethyl-7-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BTOKGPBFOKZORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-12-8-11-6-7-13(17-4)9-14(11)15(16-12)10(2)3/h6-7,9-10,12,15-16H,5,8H2,1-4H3.
What are the key properties of 3-ethyl-7-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
3-ethyl-7-methoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 233.35 g/mol, XLogP of 3.32, 3 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-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83970711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).