1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline

C19H23NO — CID 106777920

IUPAC1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc2c1CCNC2Cc1cc(C)ccc1C
InChIInChI=1S/C19H23NO/c1-13-7-8-14(2)15(11-13)12-18-16-5-4-6-19(21-3)17(16)9-10-20-18/h4-8,11,18,20H,9-10,12H2,1-3H3
InChIKeyJRZPMNWOFZEVEY-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.74
Rot. Bonds3

About 1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline

1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106777920) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID106777920
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cccc2c1CCNC2Cc1cc(C)ccc1C
InChIInChI=1S/C19H23NO/c1-13-7-8-14(2)15(11-13)12-18-16-5-4-6-19(21-3)17(16)9-10-20-18/h4-8,11,18,20H,9-10,12H2,1-3H3
InChIKeyJRZPMNWOFZEVEY-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-dimethoxyphenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141227278
5-methoxy-1-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781714
5-methoxy-1-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline
CID 106779765
5-methoxy-1-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 107054750
1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 84723493
1-[(3-methoxy-4-methylphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 161157060
1-[(4-methoxynaphthalen-1-yl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 10713288
7-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[h]quinoline
CID 83887769
1-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 46842613
1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5,7-diol
CID 12737280
(1R)-1-[[2-[2-[2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,5-dimethoxyphenyl]ethyl]-4,5-dimethoxyphenyl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 102030471
2-[(2,5-dimethylphenyl)methyl]oxirane
CID 14045723

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 106777920) is 1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline is COc1cccc2c1CCNC2Cc1cc(C)ccc1C.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JRZPMNWOFZEVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-7-8-14(2)15(11-13)12-18-16-5-4-6-19(21-3)17(16)9-10-20-18/h4-8,11,18,20H,9-10,12H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline?
1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 281.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-5-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106777920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).