3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C16H18ClN — CID 45263105

IUPAC3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCC1Cc2cccc(-c3ccccc3)c2CN1.Cl
InChIInChI=1S/C16H17N.ClH/c1-12-10-14-8-5-9-15(16(14)11-17-12)13-6-3-2-4-7-13;/h2-9,12,17H,10-11H2,1H3;1H
InChIKeyVCIGSTGNWVZWQA-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.81
Rot. Bonds1

About 3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 45263105) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID45263105
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCC1Cc2cccc(-c3ccccc3)c2CN1.Cl
InChIInChI=1S/C16H17N.ClH/c1-12-10-14-8-5-9-15(16(14)11-17-12)13-6-3-2-4-7-13;/h2-9,12,17H,10-11H2,1H3;1H
InChIKeyVCIGSTGNWVZWQA-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 45263105) is 3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is CC1Cc2cccc(-c3ccccc3)c2CN1.Cl.
What is the InChIKey of 3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is VCIGSTGNWVZWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N.ClH/c1-12-10-14-8-5-9-15(16(14)11-17-12)13-6-3-2-4-7-13;/h2-9,12,17H,10-11H2,1H3;1H.
What are the key properties of 3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 45263105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).