3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline

C15H15N — CID 140711681

IUPAC3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline
SMILES[2H]c1cc(-c2cc3c(cn2)CCCC3)c([2H])c([2H])c1[2H]
InChIInChI=1S/C15H15N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h1-3,6-7,10-11H,4-5,8-9H2/i1D,2D,3D,6D
InChIKeyXRNQWXNSPVCGTC-VTBMLFEUSA-N
MW213.32 g/mol
LogP3.63
Rot. Bonds1

About 3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline

3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline (PubChem CID 140711681) has the molecular formula C15H15N and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline
PubChem CID140711681
Molecular FormulaC15H15N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline
SMILES[2H]c1cc(-c2cc3c(cn2)CCCC3)c([2H])c([2H])c1[2H]
InChIInChI=1S/C15H15N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h1-3,6-7,10-11H,4-5,8-9H2/i1D,2D,3D,6D
InChIKeyXRNQWXNSPVCGTC-VTBMLFEUSA-N
XLogP3.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,5-tetradeuterio-6-(2,3,4,5-tetradeuteriophenyl)pyridine
CID 59070802
3,4,5-trideuterio-2-(2,3,4,5-tetradeuteriophenyl)pyridine
CID 140711713
3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 135190154
trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]germane
CID 156660153
methanamine;3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 177051680
3-(5,5,8,8-tetramethylnaphthalen-1-yl)-5,6,7,8-tetrahydroisoquinoline
CID 171590547
6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazine
CID 10844537
3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline
CID 140781526
copper;4-(5-methyl-2-pyridinyl)-3-azabicyclo[4.2.0]octa-1,3,5-triene
CID 144914085
2-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypyridine-4-carboxylic acid
CID 116864741
5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene
CID 11184504
3-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydroisoquinoline
CID 90808391

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline (CID 140711681) is 3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline is [2H]c1cc(-c2cc3c(cn2)CCCC3)c([2H])c([2H])c1[2H].
What is the InChIKey of 3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is XRNQWXNSPVCGTC-VTBMLFEUSA-N. The full InChI is InChI=1S/C15H15N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h1-3,6-7,10-11H,4-5,8-9H2/i1D,2D,3D,6D.
What are the key properties of 3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline?
3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 213.32 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 140711681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).