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

C16H17N — CID 141294642

IUPAC2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccccc1N1CCc2ccccc2C1
InChIInChI=1S/C16H17N/c1-13-6-2-5-9-16(13)17-11-10-14-7-3-4-8-15(14)12-17/h2-9H,10-12H2,1H3
InChIKeyYXNRNYROOFEBBI-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.56
Rot. Bonds1

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

2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 141294642) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
PubChem CID141294642
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccccc1N1CCc2ccccc2C1
InChIInChI=1S/C16H17N/c1-13-6-2-5-9-16(13)17-11-10-14-7-3-4-8-15(14)12-17/h2-9H,10-12H2,1H3
InChIKeyYXNRNYROOFEBBI-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylphenyl)pyrrolidin-3-one
CID 23052785
2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylaniline
CID 62911258
2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 21276884
2-(2-ethenyl-5-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 121005796
1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565
1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methylphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542726
[2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol
CID 28945706
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
CID 59868746
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoroaniline
CID 62375892
(1R)-1-[3-chloro-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethanamine
CID 63368334

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline (CID 141294642) is 2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline is Cc1ccccc1N1CCc2ccccc2C1.
What is the InChIKey of 2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is YXNRNYROOFEBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-13-6-2-5-9-16(13)17-11-10-14-7-3-4-8-15(14)12-17/h2-9H,10-12H2,1H3.
What are the key properties of 2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline?
2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 223.32 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 141294642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).