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

C23H24ClNO — CID 3057789

IUPAC2-benzyl-8-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOc1ccccc1-c1cccc2c1CN(Cc1ccccc1)CC2.Cl
InChIInChI=1S/C23H23NO.ClH/c1-25-23-13-6-5-11-21(23)20-12-7-10-19-14-15-24(17-22(19)20)16-18-8-3-2-4-9-18;/h2-13H,14-17H2,1H3;1H
InChIKeySLQNZGBVDLSNCV-UHFFFAOYSA-N
MW365.90 g/mol
LogP5.34
Rot. Bonds4

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

2-benzyl-8-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 3057789) has the molecular formula C23H24ClNO and a molecular weight of 365.90 g/mol. Its IUPAC name is 2-benzyl-8-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name2-benzyl-8-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID3057789
Molecular FormulaC23H24ClNO
Molecular Weight365.90 g/mol
Exact Mass365.15
IUPAC Name2-benzyl-8-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOc1ccccc1-c1cccc2c1CN(Cc1ccccc1)CC2.Cl
InChIInChI=1S/C23H23NO.ClH/c1-25-23-13-6-5-11-21(23)20-12-7-10-19-14-15-24(17-22(19)20)16-18-8-3-2-4-9-18;/h2-13H,14-17H2,1H3;1H
InChIKeySLQNZGBVDLSNCV-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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Related Compounds

(-)-Nuciferine
CID 10146
Aprphine, 1,2-dimethoxy-, (+-)-
CID 22156
Methoxydine
CID 15100753
N-(4-Methoxybenzyl)-1-(naphthalen-1-yl)methanamine
CID 781301
1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 3108374
Isoquinoline, 1,2,3,4-tetrahydro-8-(3-methoxyphenyl)-2-(phenylmethyl)-, hydrochloride
CID 3057765
Isoquinoline, 1,2,3,4-tetrahydro-8-(3-methoxyphenyl)-, hydrochloride
CID 3057767
4-Benzyl-1-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperidine
CID 10595772
1-((2-Methoxyphenyl)(phenyl)methyl)-4-phenylpiperidin-4-ol
CID 10109899
1''-Benzylspiro[chroman-2,4''-piperidine]
CID 10661409
1-Cyclohexyl-4-(3-(5-methoxynaphthalen-1-yl)propyl)piperazine
CID 11428574
6-tert-Butyl-3-cyclohexyl-3,4-dihydro-2H-1,3-benzoxazine
CID 227114

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 2-benzyl-8-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 3057789) is 2-benzyl-8-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 2-benzyl-8-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 2-benzyl-8-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride is COc1ccccc1-c1cccc2c1CN(Cc1ccccc1)CC2.Cl.
What is the InChIKey of 2-benzyl-8-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is SLQNZGBVDLSNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO.ClH/c1-25-23-13-6-5-11-21(23)20-12-7-10-19-14-15-24(17-22(19)20)16-18-8-3-2-4-9-18;/h2-13H,14-17H2,1H3;1H.
What are the key properties of 2-benzyl-8-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride?
2-benzyl-8-(2-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-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 3057789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).