3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride

C18H20ClN — CID 24747746

IUPAC3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride
SMILESCC1Cc2ccccc2C(CCc2ccccc2)=N1.Cl
InChIInChI=1S/C18H19N.ClH/c1-14-13-16-9-5-6-10-17(16)18(19-14)12-11-15-7-3-2-4-8-15;/h2-10,14H,11-13H2,1H3;1H
InChIKeyLAORPZBQNFMXCZ-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.47
Rot. Bonds3

About 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride

3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride (PubChem CID 24747746) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride
PubChem CID24747746
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride
SMILESCC1Cc2ccccc2C(CCc2ccccc2)=N1.Cl
InChIInChI=1S/C18H19N.ClH/c1-14-13-16-9-5-6-10-17(16)18(19-14)12-11-15-7-3-2-4-8-15;/h2-10,14H,11-13H2,1H3;1H
InChIKeyLAORPZBQNFMXCZ-UHFFFAOYSA-N
XLogP4.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride?
The IUPAC name of 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride (CID 24747746) is 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride.
What is the SMILES notation for 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride?
The canonical SMILES for 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride is CC1Cc2ccccc2C(CCc2ccccc2)=N1.Cl.
What is the InChIKey of 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride?
The InChIKey is LAORPZBQNFMXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N.ClH/c1-14-13-16-9-5-6-10-17(16)18(19-14)12-11-15-7-3-2-4-8-15;/h2-10,14H,11-13H2,1H3;1H.
What are the key properties of 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride?
3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylethyl)-3,4-dihydroisoquinoline;hydrochloride is sourced from PubChem (CID 24747746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).