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

C18H21N — CID 106778084

IUPAC5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(Cc2cccc3c2CCNC3)cc1C
InChIInChI=1S/C18H21N/c1-13-6-7-15(10-14(13)2)11-16-4-3-5-17-12-19-9-8-18(16)17/h3-7,10,19H,8-9,11-12H2,1-2H3
InChIKeyIVZUZSYNWSCUGB-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.54
Rot. Bonds2

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

5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106778084) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID106778084
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(Cc2cccc3c2CCNC3)cc1C
InChIInChI=1S/C18H21N/c1-13-6-7-15(10-14(13)2)11-16-4-3-5-17-12-19-9-8-18(16)17/h3-7,10,19H,8-9,11-12H2,1-2H3
InChIKeyIVZUZSYNWSCUGB-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778070
5-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778058
2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145042992
5-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106781161
5-nonyl-1,2,3,4-tetrahydroisoquinoline
CID 106778358
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol
CID 105445306
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine
CID 115105041
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106777742
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
5-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104234

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 106778084) is 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is Cc1ccc(Cc2cccc3c2CCNC3)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is IVZUZSYNWSCUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-6-7-15(10-14(13)2)11-16-4-3-5-17-12-19-9-8-18(16)17/h3-7,10,19H,8-9,11-12H2,1-2H3.
What are the key properties of 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 251.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106778084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).