8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline

C18H21N — CID 142903314

IUPAC8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(-c2cccc3c2CNCC3)c(C)c1C
InChIInChI=1S/C18H21N/c1-12-7-8-16(14(3)13(12)2)17-6-4-5-15-9-10-19-11-18(15)17/h4-8,19H,9-11H2,1-3H3
InChIKeyLKITVTFZGXSLOJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.92
Rot. Bonds1

About 8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline

8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 142903314) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID142903314
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(-c2cccc3c2CNCC3)c(C)c1C
InChIInChI=1S/C18H21N/c1-12-7-8-16(14(3)13(12)2)17-6-4-5-15-9-10-19-11-18(15)17/h4-8,19H,9-11H2,1-3H3
InChIKeyLKITVTFZGXSLOJ-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline
CID 106781675
8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 166247300
8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 103144140
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56877313
8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043
(1S)-N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethanamine
CID 137382325
3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzoic acid
CID 56874025
8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 114197799
N-butyl-3-(2,3-dihydro-1H-inden-4-yl)-2-methylaniline
CID 142524177
5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde
CID 169333519

Frequently Asked Questions

What is the IUPAC name of 8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline (CID 142903314) is 8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline is Cc1ccc(-c2cccc3c2CNCC3)c(C)c1C.
What is the InChIKey of 8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LKITVTFZGXSLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-12-7-8-16(14(3)13(12)2)17-6-4-5-15-9-10-19-11-18(15)17/h4-8,19H,9-11H2,1-3H3.
What are the key properties of 8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline?
8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 251.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 142903314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).