N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine

C20H24N2 — CID 3068648

IUPACN,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine
SMILESCc1cccc(C2=NC(CCN(C)C)Cc3ccccc32)c1
InChIInChI=1S/C20H24N2/c1-15-7-6-9-17(13-15)20-19-10-5-4-8-16(19)14-18(21-20)11-12-22(2)3/h4-10,13,18H,11-12,14H2,1-3H3
InChIKeyHBLVLCNGWBWPRJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.71
Rot. Bonds4

About N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine

N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine (PubChem CID 3068648) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine
PubChem CID3068648
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC NameN,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine
SMILESCc1cccc(C2=NC(CCN(C)C)Cc3ccccc32)c1
InChIInChI=1S/C20H24N2/c1-15-7-6-9-17(13-15)20-19-10-5-4-8-16(19)14-18(21-20)11-12-22(2)3/h4-10,13,18H,11-12,14H2,1-3H3
InChIKeyHBLVLCNGWBWPRJ-UHFFFAOYSA-N
XLogP3.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21154554
2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;hydrate;hydrochloride
CID 21154553
N,N-dimethyl-2-[1-(4-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride
CID 3068653
N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride
CID 3068617
2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine
CID 3068616
3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline;hydrate
CID 21154541
bis(1-[5-(3-fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-3-yl]-N,N-dimethylmethanamine);trihydrochloride
CID 3068677
(4R)-3,7-dimethyl-1-(3-methylphenyl)-4-propyl-3,4-dihydroisoquinoline
CID 156900762
3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-amine
CID 18785891
2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 125485635
N'-(2,3-dihydro-1H-inden-2-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 784635
2-[2-(3-methylphenyl)-3H-inden-1-yl]-2,3-dihydroinden-1-one
CID 135062926

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine (CID 3068648) is N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine is Cc1cccc(C2=NC(CCN(C)C)Cc3ccccc32)c1.
What is the InChIKey of N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine?
The InChIKey is HBLVLCNGWBWPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-15-7-6-9-17(13-15)20-19-10-5-4-8-16(19)14-18(21-20)11-12-22(2)3/h4-10,13,18H,11-12,14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine?
N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine has a molecular weight of 292.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(3-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine is sourced from PubChem (CID 3068648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).