2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride

C19H23Cl2FN2 — CID 3068631

IUPAC2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride
SMILESCN(C)CCC1Cc2ccccc2C(c2ccc(F)cc2)=N1.Cl.Cl
InChIInChI=1S/C19H21FN2.2ClH/c1-22(2)12-11-17-13-15-5-3-4-6-18(15)19(21-17)14-7-9-16(20)10-8-14;;/h3-10,17H,11-13H2,1-2H3;2*1H
InChIKeyOYYREAYWUSZCSL-UHFFFAOYSA-N
MW369.31 g/mol
LogP4.38
Rot. Bonds4

About 2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride

2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride (PubChem CID 3068631) has the molecular formula C19H23Cl2FN2 and a molecular weight of 369.31 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride
PubChem CID3068631
Molecular FormulaC19H23Cl2FN2
Molecular Weight369.31 g/mol
Exact Mass368.12
IUPAC Name2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride
SMILESCN(C)CCC1Cc2ccccc2C(c2ccc(F)cc2)=N1.Cl.Cl
InChIInChI=1S/C19H21FN2.2ClH/c1-22(2)12-11-17-13-15-5-3-4-6-18(15)19(21-17)14-7-9-16(20)10-8-14;;/h3-10,17H,11-13H2,1-2H3;2*1H
InChIKeyOYYREAYWUSZCSL-UHFFFAOYSA-N
XLogP4.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride?
The IUPAC name of 2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride (CID 3068631) is 2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride is CN(C)CCC1Cc2ccccc2C(c2ccc(F)cc2)=N1.Cl.Cl.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride?
The InChIKey is OYYREAYWUSZCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2.2ClH/c1-22(2)12-11-17-13-15-5-3-4-6-18(15)19(21-17)14-7-9-16(20)10-8-14;;/h3-10,17H,11-13H2,1-2H3;2*1H.
What are the key properties of 2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride?
2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride has a molecular weight of 369.31 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride is sourced from PubChem (CID 3068631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).