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

C18H22ClN — CID 23344353

IUPAC8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCCCC1Cc2cccc(-c3ccccc3)c2CN1.Cl
InChIInChI=1S/C18H21N.ClH/c1-2-7-16-12-15-10-6-11-17(18(15)13-19-16)14-8-4-3-5-9-14;/h3-6,8-11,16,19H,2,7,12-13H2,1H3;1H
InChIKeyIKJVRZYMEVAKAJ-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.59
Rot. Bonds3

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

8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 23344353) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID23344353
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCCCC1Cc2cccc(-c3ccccc3)c2CN1.Cl
InChIInChI=1S/C18H21N.ClH/c1-2-7-16-12-15-10-6-11-17(18(15)13-19-16)14-8-4-3-5-9-14;/h3-6,8-11,16,19H,2,7,12-13H2,1H3;1H
InChIKeyIKJVRZYMEVAKAJ-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 23344353) is 8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is CCCC1Cc2cccc(-c3ccccc3)c2CN1.Cl.
What is the InChIKey of 8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is IKJVRZYMEVAKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N.ClH/c1-2-7-16-12-15-10-6-11-17(18(15)13-19-16)14-8-4-3-5-9-14;/h3-6,8-11,16,19H,2,7,12-13H2,1H3;1H.
What are the key properties of 8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 287.83 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 23344353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).