2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline

C18H19N — CID 121005796

IUPAC2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline
SMILESC=Cc1ccc(C)cc1N1CCc2ccccc2C1
InChIInChI=1S/C18H19N/c1-3-15-9-8-14(2)12-18(15)19-11-10-16-6-4-5-7-17(16)13-19/h3-9,12H,1,10-11,13H2,2H3
InChIKeyLFVNQTAGWFDHHF-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.20
Rot. Bonds2

About 2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline

2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 121005796) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline
PubChem CID121005796
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline
SMILESC=Cc1ccc(C)cc1N1CCc2ccccc2C1
InChIInChI=1S/C18H19N/c1-3-15-9-8-14(2)12-18(15)19-11-10-16-6-4-5-7-17(16)13-19/h3-9,12H,1,10-11,13H2,2H3
InChIKeyLFVNQTAGWFDHHF-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 141294642
4-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzaldehyde
CID 114843862
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridine-3-carbaldehyde
CID 102546467
3,12-bis(2,5-dimethylphenyl)-6,9-dimethyl-3,12-diazatricyclo[12.4.0.05,10]octadeca-1(18),5,7,9,14,16-hexaene
CID 619890
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,5-dimethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110560936
4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene
CID 143076291
2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline
CID 62911258
7-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 138537394
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoroaniline
CID 62375892
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,5-dimethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545041
2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 21276884

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline (CID 121005796) is 2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline is C=Cc1ccc(C)cc1N1CCc2ccccc2C1.
What is the InChIKey of 2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is LFVNQTAGWFDHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-3-15-9-8-14(2)12-18(15)19-11-10-16-6-4-5-7-17(16)13-19/h3-9,12H,1,10-11,13H2,2H3.
What are the key properties of 2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline?
2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 249.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 121005796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).