2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride

C23H24ClNO — CID 3057765

IUPAC2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOc1cccc(-c2cccc3c2CN(Cc2ccccc2)CC3)c1.Cl
InChIInChI=1S/C23H23NO.ClH/c1-25-21-11-5-10-20(15-21)22-12-6-9-19-13-14-24(17-23(19)22)16-18-7-3-2-4-8-18;/h2-12,15H,13-14,16-17H2,1H3;1H
InChIKeyZIKYSSKPKCZFMB-UHFFFAOYSA-N
MW365.90 g/mol
LogP5.34
Rot. Bonds4

About 2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride

2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 3057765) has the molecular formula C23H24ClNO and a molecular weight of 365.90 g/mol. Its IUPAC name is 2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID3057765
Molecular FormulaC23H24ClNO
Molecular Weight365.90 g/mol
Exact Mass365.15
IUPAC Name2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOc1cccc(-c2cccc3c2CN(Cc2ccccc2)CC3)c1.Cl
InChIInChI=1S/C23H23NO.ClH/c1-25-21-11-5-10-20(15-21)22-12-6-9-19-13-14-24(17-23(19)22)16-18-7-3-2-4-8-18;/h2-12,15H,13-14,16-17H2,1H3;1H
InChIKeyZIKYSSKPKCZFMB-UHFFFAOYSA-N
XLogP5.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 3057765) is 2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride is COc1cccc(-c2cccc3c2CN(Cc2ccccc2)CC3)c1.Cl.
What is the InChIKey of 2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is ZIKYSSKPKCZFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO.ClH/c1-25-21-11-5-10-20(15-21)22-12-6-9-19-13-14-24(17-23(19)22)16-18-7-3-2-4-8-18;/h2-12,15H,13-14,16-17H2,1H3;1H.
What are the key properties of 2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 365.90 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 3057765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).