(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone

C18H19NO — CID 116562030

IUPAC(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
SMILESCc1ccc(C(=O)C2NCCc3ccccc32)cc1C
InChIInChI=1S/C18H19NO/c1-12-7-8-15(11-13(12)2)18(20)17-16-6-4-3-5-14(16)9-10-19-17/h3-8,11,17,19H,9-10H2,1-2H3
InChIKeyAPKFKHJFKOPVEF-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.37
Rot. Bonds2

About (3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone

(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone (PubChem CID 116562030) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
PubChem CID116562030
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
SMILESCc1ccc(C(=O)C2NCCc3ccccc32)cc1C
InChIInChI=1S/C18H19NO/c1-12-7-8-15(11-13(12)2)18(20)17-16-6-4-3-5-14(16)9-10-19-17/h3-8,11,17,19H,9-10H2,1-2H3
InChIKeyAPKFKHJFKOPVEF-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116561967
(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116562003
(5-methoxy-3-pyridinyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116562019
3,4-dihydro-1H-isochromen-1-yl-(3,4-dimethylphenyl)methanone
CID 105093543
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 79177948
N-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107701348
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
sodium (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 122531352
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
CID 173135216
(4-bromothiophen-3-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 116562094
(3,4-dimethylphenyl)-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 59934246

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone (CID 116562030) is (3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone is Cc1ccc(C(=O)C2NCCc3ccccc32)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
The InChIKey is APKFKHJFKOPVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12-7-8-15(11-13(12)2)18(20)17-16-6-4-3-5-14(16)9-10-19-17/h3-8,11,17,19H,9-10H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone?
(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone is sourced from PubChem (CID 116562030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).