2-methyl-1-(2-methylphenyl)-3H-isoquinoline

C17H17N — CID 21053257

IUPAC2-methyl-1-(2-methylphenyl)-3H-isoquinoline
SMILESCc1ccccc1C1=c2ccccc2=CCN1C
InChIInChI=1S/C17H17N/c1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2/h3-11H,12H2,1-2H3
InChIKeyFKAGPXGVYZPAJB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.88
Rot. Bonds1

About 2-methyl-1-(2-methylphenyl)-3H-isoquinoline

2-methyl-1-(2-methylphenyl)-3H-isoquinoline (PubChem CID 21053257) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-1-(2-methylphenyl)-3H-isoquinoline.

Molecular Properties

Compound Name2-methyl-1-(2-methylphenyl)-3H-isoquinoline
PubChem CID21053257
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2-methyl-1-(2-methylphenyl)-3H-isoquinoline
SMILESCc1ccccc1C1=c2ccccc2=CCN1C
InChIInChI=1S/C17H17N/c1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2/h3-11H,12H2,1-2H3
InChIKeyFKAGPXGVYZPAJB-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole
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15,16-dihydroxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),12,14-heptaen-8-one
CID 163121458
1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
CID 142604826
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 143691783
3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane
CID 145320903
2-(2-methylphenyl)cyclohepta-1,3-dien-5-yne
CID 163604977
1-benzo[c][1]benzothiepin-11-yl-N,N-dimethylazetidin-3-amine
CID 90475724
6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730671
1-methyl-2-(6-methylcyclohexa-1,5-dien-1-yl)benzene
CID 123864976
1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 143793879

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylphenyl)-3H-isoquinoline?
The IUPAC name of 2-methyl-1-(2-methylphenyl)-3H-isoquinoline (CID 21053257) is 2-methyl-1-(2-methylphenyl)-3H-isoquinoline.
What is the SMILES notation for 2-methyl-1-(2-methylphenyl)-3H-isoquinoline?
The canonical SMILES for 2-methyl-1-(2-methylphenyl)-3H-isoquinoline is Cc1ccccc1C1=c2ccccc2=CCN1C.
What is the InChIKey of 2-methyl-1-(2-methylphenyl)-3H-isoquinoline?
The InChIKey is FKAGPXGVYZPAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-13-7-3-5-9-15(13)17-16-10-6-4-8-14(16)11-12-18(17)2/h3-11H,12H2,1-2H3.
What are the key properties of 2-methyl-1-(2-methylphenyl)-3H-isoquinoline?
2-methyl-1-(2-methylphenyl)-3H-isoquinoline has a molecular weight of 235.33 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylphenyl)-3H-isoquinoline is sourced from PubChem (CID 21053257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).