1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline

C19H23NO — CID 106777888

IUPAC1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2Cc1cc(C)cc(C)c1
InChIInChI=1S/C19H23NO/c1-13-8-14(2)10-15(9-13)11-19-18-5-4-17(21-3)12-16(18)6-7-20-19/h4-5,8-10,12,19-20H,6-7,11H2,1-3H3
InChIKeyTVTYJDLJDAJGRE-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.74
Rot. Bonds3

About 1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline

1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106777888) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID106777888
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2Cc1cc(C)cc(C)c1
InChIInChI=1S/C19H23NO/c1-13-8-14(2)10-15(9-13)11-19-18-5-4-17(21-3)12-16(18)6-7-20-19/h4-5,8-10,12,19-20H,6-7,11H2,1-3H3
InChIKeyTVTYJDLJDAJGRE-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

6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 143954648
4-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96977662
1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106779921
[2-methoxy-5-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenyl] acetate
CID 53348424
(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 10969027
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 22643314
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106780194
6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline
CID 106778477
6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781104
4-bromo-2-methoxy-5-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 118001193
(1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 7055406
6,7-diethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 166067834

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 106777888) is 1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)CCNC2Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is TVTYJDLJDAJGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-8-14(2)10-15(9-13)11-19-18-5-4-17(21-3)12-16(18)6-7-20-19/h4-5,8-10,12,19-20H,6-7,11H2,1-3H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
1-[(3,5-dimethylphenyl)methyl]-6-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-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106777888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).