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

C20H27N — CID 145118805

IUPAC2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
SMILESCC.CCc1ccc2c(c1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C18H21N.C2H6/c1-2-15-8-9-18-14-19(11-10-17(18)12-15)13-16-6-4-3-5-7-16;1-2/h3-9,12H,2,10-11,13-14H2,1H3;1-2H3
InChIKeyCDVKLSGPOQCFAR-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.83
Rot. Bonds3

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

2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane (PubChem CID 145118805) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane.

Molecular Properties

Compound Name2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
PubChem CID145118805
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
SMILESCC.CCc1ccc2c(c1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C18H21N.C2H6/c1-2-15-8-9-18-14-19(11-10-17(18)12-15)13-16-6-4-3-5-7-16;1-2/h3-9,12H,2,10-11,13-14H2,1H3;1-2H3
InChIKeyCDVKLSGPOQCFAR-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
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
ethane;7-ethyl-2-(3-fluoropropyl)-3,4-dihydro-1H-isoquinoline
CID 171523747
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

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane?
The IUPAC name of 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane (CID 145118805) is 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane.
What is the SMILES notation for 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane?
The canonical SMILES for 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane is CC.CCc1ccc2c(c1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane?
The InChIKey is CDVKLSGPOQCFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N.C2H6/c1-2-15-8-9-18-14-19(11-10-17(18)12-15)13-16-6-4-3-5-7-16;1-2/h3-9,12H,2,10-11,13-14H2,1H3;1-2H3.
What are the key properties of 2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane?
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane has a molecular weight of 281.44 g/mol, XLogP of 4.83, 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;ethane is sourced from PubChem (CID 145118805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).