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

C20H26Cl2N2 — CID 3068649

IUPACN,N-dimethyl-2-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride
SMILESCc1ccc(C2=NC(CCN(C)C)Cc3ccccc32)cc1.Cl.Cl
InChIInChI=1S/C20H24N2.2ClH/c1-15-8-10-16(11-9-15)20-19-7-5-4-6-17(19)14-18(21-20)12-13-22(2)3;;/h4-11,18H,12-14H2,1-3H3;2*1H
InChIKeyMIXDVMAKNNBQJA-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.55
Rot. Bonds4

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

N,N-dimethyl-2-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride (PubChem CID 3068649) has the molecular formula C20H26Cl2N2 and a molecular weight of 365.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride
PubChem CID3068649
Molecular FormulaC20H26Cl2N2
Molecular Weight365.35 g/mol
Exact Mass364.15
IUPAC NameN,N-dimethyl-2-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride
SMILESCc1ccc(C2=NC(CCN(C)C)Cc3ccccc32)cc1.Cl.Cl
InChIInChI=1S/C20H24N2.2ClH/c1-15-8-10-16(11-9-15)20-19-7-5-4-6-17(19)14-18(21-20)12-13-22(2)3;;/h4-11,18H,12-14H2,1-3H3;2*1H
InChIKeyMIXDVMAKNNBQJA-UHFFFAOYSA-N
XLogP4.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride?
The IUPAC name of N,N-dimethyl-2-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride (CID 3068649) is N,N-dimethyl-2-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-2-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-2-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride is Cc1ccc(C2=NC(CCN(C)C)Cc3ccccc32)cc1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-2-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride?
The InChIKey is MIXDVMAKNNBQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2.2ClH/c1-15-8-10-16(11-9-15)20-19-7-5-4-6-17(19)14-18(21-20)12-13-22(2)3;;/h4-11,18H,12-14H2,1-3H3;2*1H.
What are the key properties of N,N-dimethyl-2-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride?
N,N-dimethyl-2-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride has a molecular weight of 365.35 g/mol, XLogP of 4.55, 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-(4-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 3068649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).