(1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride

C16H18ClN — CID 10220811

IUPAC(1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
SMILESC[C@]1(c2ccccc2)NCCc2ccccc21.Cl
InChIInChI=1S/C16H17N.ClH/c1-16(14-8-3-2-4-9-14)15-10-6-5-7-13(15)11-12-17-16;/h2-10,17H,11-12H2,1H3;1H/t16-;/m1./s1
InChIKeyLUSUZDOXGNAITA-PKLMIRHRSA-N
MW259.78 g/mol
LogP3.52
Rot. Bonds1

About (1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride

(1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride (PubChem CID 10220811) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is (1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name(1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
PubChem CID10220811
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name(1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
SMILESC[C@]1(c2ccccc2)NCCc2ccccc21.Cl
InChIInChI=1S/C16H17N.ClH/c1-16(14-8-3-2-4-9-14)15-10-6-5-7-13(15)11-12-17-16;/h2-10,17H,11-12H2,1H3;1H/t16-;/m1./s1
InChIKeyLUSUZDOXGNAITA-PKLMIRHRSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
The IUPAC name of (1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride (CID 10220811) is (1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride.
What is the SMILES notation for (1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
The canonical SMILES for (1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride is C[C@]1(c2ccccc2)NCCc2ccccc21.Cl.
What is the InChIKey of (1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
The InChIKey is LUSUZDOXGNAITA-PKLMIRHRSA-N. The full InChI is InChI=1S/C16H17N.ClH/c1-16(14-8-3-2-4-9-14)15-10-6-5-7-13(15)11-12-17-16;/h2-10,17H,11-12H2,1H3;1H/t16-;/m1./s1.
What are the key properties of (1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride?
(1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride is sourced from PubChem (CID 10220811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).