2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline

C18H21N — CID 15519082

IUPAC2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccc2c(c1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C18H21N/c1-2-15-8-9-18-14-19(11-10-17(18)12-15)13-16-6-4-3-5-7-16/h3-9,12H,2,10-11,13-14H2,1H3
InChIKeyXHTKZBGCLJPKNE-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.81
Rot. Bonds3

About 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline

2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 15519082) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
PubChem CID15519082
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1ccc2c(c1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C18H21N/c1-2-15-8-9-18-14-19(11-10-17(18)12-15)13-16-6-4-3-5-7-16/h3-9,12H,2,10-11,13-14H2,1H3
InChIKeyXHTKZBGCLJPKNE-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
2-benzyl-6-butyl-3,4-dihydro-1H-isoquinoline
CID 15519083
2-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)-1-piperidin-1-ylethanone
CID 69094911
1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine
CID 70971463
2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 23298431
7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 168897972
1-(azetidin-1-yl)-2-(6-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 138530494
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 118072735
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3353508
2-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)acetic acid
CID 84786847
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline (CID 15519082) is 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline is CCc1ccc2c(c1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is XHTKZBGCLJPKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-15-8-9-18-14-19(11-10-17(18)12-15)13-16-6-4-3-5-7-16/h3-9,12H,2,10-11,13-14H2,1H3.
What are the key properties of 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline?
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 251.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 15519082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).