4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline

C18H21NO — CID 106779335

IUPAC4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(CCC2CNCc3ccccc32)cc1
InChIInChI=1S/C18H21NO/c1-20-17-10-7-14(8-11-17)6-9-16-13-19-12-15-4-2-3-5-18(15)16/h2-5,7-8,10-11,16,19H,6,9,12-13H2,1H3
InChIKeyOOWHYSISMUQZHQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.51
Rot. Bonds4

About 4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline

4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106779335) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID106779335
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(CCC2CNCc3ccccc32)cc1
InChIInChI=1S/C18H21NO/c1-20-17-10-7-14(8-11-17)6-9-16-13-19-12-15-4-2-3-5-18(15)16/h2-5,7-8,10-11,16,19H,6,9,12-13H2,1H3
InChIKeyOOWHYSISMUQZHQ-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole
CID 65447093
4-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504964
7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
CID 105477768
3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol
CID 115105105
3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 106779338
N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine
CID 65486181
4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104294
methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783
4-[2-(5-fluoro-2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 105374785
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
1-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 101467069
4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 104505044

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline (CID 106779335) is 4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline is COc1ccc(CCC2CNCc3ccccc32)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OOWHYSISMUQZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-17-10-7-14(8-11-17)6-9-16-13-19-12-15-4-2-3-5-18(15)16/h2-5,7-8,10-11,16,19H,6,9,12-13H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 267.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106779335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).