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

C17H20ClNO — CID 12611026

IUPAC8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOc1cccc(-c2cccc3c2CN(C)CC3)c1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-18-10-9-13-5-4-8-16(17(13)12-18)14-6-3-7-15(11-14)19-2;/h3-8,11H,9-10,12H2,1-2H3;1H
InChIKeyNLLYNDSNEKAPAF-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.77
Rot. Bonds2

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

8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 12611026) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
PubChem CID12611026
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
SMILESCOc1cccc(-c2cccc3c2CN(C)CC3)c1.Cl
InChIInChI=1S/C17H19NO.ClH/c1-18-10-9-13-5-4-8-16(17(13)12-18)14-6-3-7-15(11-14)19-2;/h3-8,11H,9-10,12H2,1-2H3;1H
InChIKeyNLLYNDSNEKAPAF-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-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The IUPAC name of 8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 12611026) is 8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.
What is the SMILES notation for 8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The canonical SMILES for 8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is COc1cccc(-c2cccc3c2CN(C)CC3)c1.Cl.
What is the InChIKey of 8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
The InChIKey is NLLYNDSNEKAPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c1-18-10-9-13-5-4-8-16(17(13)12-18)14-6-3-7-15(11-14)19-2;/h3-8,11H,9-10,12H2,1-2H3;1H.
What are the key properties of 8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?
8-(3-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-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 12611026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).