1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane

C14H22N2 — CID 143581266

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane
SMILESC=C(NC)N1CCc2ccccc2C1.CC
InChIInChI=1S/C12H16N2.C2H6/c1-10(13-2)14-8-7-11-5-3-4-6-12(11)9-14;1-2/h3-6,13H,1,7-9H2,2H3;1-2H3
InChIKeyYMBJEFZLHBSWOT-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.76
Rot. Bonds2

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane

1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane (PubChem CID 143581266) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane
PubChem CID143581266
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane
SMILESC=C(NC)N1CCc2ccccc2C1.CC
InChIInChI=1S/C12H16N2.C2H6/c1-10(13-2)14-8-7-11-5-3-4-6-12(11)9-14;1-2/h3-6,13H,1,7-9H2,2H3;1-2H3
InChIKeyYMBJEFZLHBSWOT-UHFFFAOYSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
2-bromo-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 71668783
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione
CID 108944341
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(methylamino)propan-1-one
CID 62834313
ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine
CID 171627514
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 5197459
N-ethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 2886350
N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 2942390
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108525679
N'-ethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110911923
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane (CID 143581266) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane is C=C(NC)N1CCc2ccccc2C1.CC.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane?
The InChIKey is YMBJEFZLHBSWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C2H6/c1-10(13-2)14-8-7-11-5-3-4-6-12(11)9-14;1-2/h3-6,13H,1,7-9H2,2H3;1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane has a molecular weight of 218.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethenamine;ethane is sourced from PubChem (CID 143581266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).