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

C17H20ClNO — CID 12611025

IUPAC8-(2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOc1ccccc1-c1cccc2c1CN(C)CC2.Cl
InChIInChI=1S/C17H19NO.ClH/c1-18-11-10-13-6-5-8-14(16(13)12-18)15-7-3-4-9-17(15)19-2;/h3-9H,10-12H2,1-2H3;1H
InChIKeyYPQSYBCPGPLLCN-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.77
Rot. Bonds2

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

8-(2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 12611025) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 8-(2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name8-(2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID12611025
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name8-(2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOc1ccccc1-c1cccc2c1CN(C)CC2.Cl
InChIInChI=1S/C17H19NO.ClH/c1-18-11-10-13-6-5-8-14(16(13)12-18)15-7-3-4-9-17(15)19-2;/h3-9H,10-12H2,1-2H3;1H
InChIKeyYPQSYBCPGPLLCN-UHFFFAOYSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 8-(2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 12611025) is 8-(2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 8-(2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 8-(2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is COc1ccccc1-c1cccc2c1CN(C)CC2.Cl.
What is the InChIKey of 8-(2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is YPQSYBCPGPLLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-18-11-10-13-6-5-8-14(16(13)12-18)15-7-3-4-9-17(15)19-2;/h3-9H,10-12H2,1-2H3;1H.
What are the key properties of 8-(2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
8-(2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 12611025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).