7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride

C16H16ClN — CID 90672430

IUPAC7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride
SMILESCc1ccc2c(c1)C(c1ccccc1)=NCC2.Cl
InChIInChI=1S/C16H15N.ClH/c1-12-7-8-13-9-10-17-16(15(13)11-12)14-5-3-2-4-6-14;/h2-8,11H,9-10H2,1H3;1H
InChIKeyGWEKMCYVUSOLED-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.81
Rot. Bonds1

About 7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride

7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride (PubChem CID 90672430) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride
PubChem CID90672430
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride
SMILESCc1ccc2c(c1)C(c1ccccc1)=NCC2.Cl
InChIInChI=1S/C16H15N.ClH/c1-12-7-8-13-9-10-17-16(15(13)11-12)14-5-3-2-4-6-14;/h2-8,11H,9-10H2,1H3;1H
InChIKeyGWEKMCYVUSOLED-UHFFFAOYSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride?
The IUPAC name of 7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride (CID 90672430) is 7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride.
What is the SMILES notation for 7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride?
The canonical SMILES for 7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride is Cc1ccc2c(c1)C(c1ccccc1)=NCC2.Cl.
What is the InChIKey of 7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride?
The InChIKey is GWEKMCYVUSOLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N.ClH/c1-12-7-8-13-9-10-17-16(15(13)11-12)14-5-3-2-4-6-14;/h2-8,11H,9-10H2,1H3;1H.
What are the key properties of 7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride?
7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride is sourced from PubChem (CID 90672430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).