N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride

C19H24Cl2N2 — CID 3068619

IUPACN,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride
SMILESCN(C)CCC1Cc2ccccc2C(c2ccccc2)=N1.Cl.Cl
InChIInChI=1S/C19H22N2.2ClH/c1-21(2)13-12-17-14-16-10-6-7-11-18(16)19(20-17)15-8-4-3-5-9-15;;/h3-11,17H,12-14H2,1-2H3;2*1H
InChIKeyPORKMAOILKBAEI-UHFFFAOYSA-N
MW351.32 g/mol
LogP4.24
Rot. Bonds4

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

N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride (PubChem CID 3068619) has the molecular formula C19H24Cl2N2 and a molecular weight of 351.32 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride
PubChem CID3068619
Molecular FormulaC19H24Cl2N2
Molecular Weight351.32 g/mol
Exact Mass350.13
IUPAC NameN,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride
SMILESCN(C)CCC1Cc2ccccc2C(c2ccccc2)=N1.Cl.Cl
InChIInChI=1S/C19H22N2.2ClH/c1-21(2)13-12-17-14-16-10-6-7-11-18(16)19(20-17)15-8-4-3-5-9-15;;/h3-11,17H,12-14H2,1-2H3;2*1H
InChIKeyPORKMAOILKBAEI-UHFFFAOYSA-N
XLogP4.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 54.24
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-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride?
The IUPAC name of N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride (CID 3068619) is N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride is CN(C)CCC1Cc2ccccc2C(c2ccccc2)=N1.Cl.Cl.
What is the InChIKey of N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride?
The InChIKey is PORKMAOILKBAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2.2ClH/c1-21(2)13-12-17-14-16-10-6-7-11-18(16)19(20-17)15-8-4-3-5-9-15;;/h3-11,17H,12-14H2,1-2H3;2*1H.
What are the key properties of N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride?
N,N-dimethyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride has a molecular weight of 351.32 g/mol, XLogP of 4.24, 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-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 3068619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).