N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine

C15H21F3N2O2 — CID 83956932

IUPACN-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCOc1cc(CNCC(F)(F)F)c(OC)c2c1C(C)NCC2
InChIInChI=1S/C15H21F3N2O2/c1-9-13-11(4-5-20-9)14(22-3)10(6-12(13)21-2)7-19-8-15(16,17)18/h6,9,19-20H,4-5,7-8H2,1-3H3
InChIKeyDYIOTZVIGUNRAC-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.56
Rot. Bonds5

About N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine

N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 83956932) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID83956932
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC NameN-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCOc1cc(CNCC(F)(F)F)c(OC)c2c1C(C)NCC2
InChIInChI=1S/C15H21F3N2O2/c1-9-13-11(4-5-20-9)14(22-3)10(6-12(13)21-2)7-19-8-15(16,17)18/h6,9,19-20H,4-5,7-8H2,1-3H3
InChIKeyDYIOTZVIGUNRAC-UHFFFAOYSA-N
XLogP2.56
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine with MolForge

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Related Compounds

N-[(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]propan-1-amine
CID 83956961
(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine
CID 83956957
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257877
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257865
5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 84664219
6,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 62375762
methyl 6-[(3-hydroxypropylamino)methyl]-5,8-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721690
2,2,2-trifluoro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 43082654
methyl 1-ethyl-6-[(2-hydroxyethylamino)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721693
1-tert-butyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373438
6-fluoro-5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83377554
N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 83956970

Frequently Asked Questions

What is the IUPAC name of N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine (CID 83956932) is N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine is COc1cc(CNCC(F)(F)F)c(OC)c2c1C(C)NCC2.
What is the InChIKey of N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is DYIOTZVIGUNRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-9-13-11(4-5-20-9)14(22-3)10(6-12(13)21-2)7-19-8-15(16,17)18/h6,9,19-20H,4-5,7-8H2,1-3H3.
What are the key properties of N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 318.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,8-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 83956932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).