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

C18H22Cl2N2 — CID 3068617

IUPACN-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride
SMILESCNCCC1Cc2ccccc2C(c2ccccc2)=N1.Cl.Cl
InChIInChI=1S/C18H20N2.2ClH/c1-19-12-11-16-13-15-9-5-6-10-17(15)18(20-16)14-7-3-2-4-8-14;;/h2-10,16,19H,11-13H2,1H3;2*1H
InChIKeyPBEHJVNJGKPNQW-UHFFFAOYSA-N
MW337.29 g/mol
LogP3.90
Rot. Bonds4

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

N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride (PubChem CID 3068617) has the molecular formula C18H22Cl2N2 and a molecular weight of 337.29 g/mol. Its IUPAC name is N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride
PubChem CID3068617
Molecular FormulaC18H22Cl2N2
Molecular Weight337.29 g/mol
Exact Mass336.12
IUPAC NameN-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride
SMILESCNCCC1Cc2ccccc2C(c2ccccc2)=N1.Cl.Cl
InChIInChI=1S/C18H20N2.2ClH/c1-19-12-11-16-13-15-9-5-6-10-17(15)18(20-16)14-7-3-2-4-8-14;;/h2-10,16,19H,11-13H2,1H3;2*1H
InChIKeyPBEHJVNJGKPNQW-UHFFFAOYSA-N
XLogP3.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride?
The IUPAC name of N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride (CID 3068617) is N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride.
What is the SMILES notation for N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride?
The canonical SMILES for N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride is CNCCC1Cc2ccccc2C(c2ccccc2)=N1.Cl.Cl.
What is the InChIKey of N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride?
The InChIKey is PBEHJVNJGKPNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.2ClH/c1-19-12-11-16-13-15-9-5-6-10-17(15)18(20-16)14-7-3-2-4-8-14;;/h2-10,16,19H,11-13H2,1H3;2*1H.
What are the key properties of N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride?
N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride has a molecular weight of 337.29 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 3068617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).