N,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine

C20H23F3N2O — CID 3913878

IUPACN,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine
SMILESCN(C)CCOc1ccc2c(c1)CCNC2c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O/c1-25(2)10-11-26-17-6-7-18-14(13-17)8-9-24-19(18)15-4-3-5-16(12-15)20(21,22)23/h3-7,12-13,19,24H,8-11H2,1-2H3
InChIKeyPRGRSICDSWOAOX-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.88
Rot. Bonds5

About N,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine

N,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine (PubChem CID 3913878) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine
PubChem CID3913878
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC NameN,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine
SMILESCN(C)CCOc1ccc2c(c1)CCNC2c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O/c1-25(2)10-11-26-17-6-7-18-14(13-17)8-9-24-19(18)15-4-3-5-16(12-15)20(21,22)23/h3-7,12-13,19,24H,8-11H2,1-2H3
InChIKeyPRGRSICDSWOAOX-UHFFFAOYSA-N
XLogP3.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine with MolForge

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Related Compounds

2-[[6-methoxy-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-dimethylethanamine
CID 3428613
2-[[1-(3,4-dibromophenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]-N,N-dimethylethanamine
CID 4019732
2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]-N,N-dimethylethanamine
CID 3473177
2-[3-(6-ethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenoxy]-N,N-diethylethanamine
CID 5132906
2-[[1-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]-N,N-dimethylethanamine
CID 4646873
2-[[1-(3-methoxy-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]-N,N-dimethylethanamine
CID 5021731
1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4669937
3-[[1-[3-[2-(dimethylamino)ethoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-dimethylpropan-1-amine
CID 4001173
N,N-diethyl-2-[[1-[3-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine
CID 5022953
2-[[1-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]-N,N-diethylethanamine
CID 4319798
1-(3-butoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 3640554
2-[[6-methoxy-1-(3-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-dimethylethanamine
CID 3466428

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine (CID 3913878) is N,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine is CN(C)CCOc1ccc2c(c1)CCNC2c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine?
The InChIKey is PRGRSICDSWOAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-25(2)10-11-26-17-6-7-18-14(13-17)8-9-24-19(18)15-4-3-5-16(12-15)20(21,22)23/h3-7,12-13,19,24H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine?
N,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine has a molecular weight of 364.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine is sourced from PubChem (CID 3913878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).