6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine

C11H15FN2 — CID 84942810

IUPAC6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCN(C)C1CNCc2ccc(F)cc21
InChIInChI=1S/C11H15FN2/c1-14(2)11-7-13-6-8-3-4-9(12)5-10(8)11/h3-5,11,13H,6-7H2,1-2H3
InChIKeyCQJUZZDUSDPCMY-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.53
Rot. Bonds1

About 6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine

6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine (PubChem CID 84942810) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
PubChem CID84942810
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCN(C)C1CNCc2ccc(F)cc21
InChIInChI=1S/C11H15FN2/c1-14(2)11-7-13-6-8-3-4-9(12)5-10(8)11/h3-5,11,13H,6-7H2,1-2H3
InChIKeyCQJUZZDUSDPCMY-UHFFFAOYSA-N
XLogP1.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The IUPAC name of 6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine (CID 84942810) is 6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine.
What is the SMILES notation for 6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The canonical SMILES for 6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine is CN(C)C1CNCc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The InChIKey is CQJUZZDUSDPCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-14(2)11-7-13-6-8-3-4-9(12)5-10(8)11/h3-5,11,13H,6-7H2,1-2H3.
What are the key properties of 6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine has a molecular weight of 194.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine is sourced from PubChem (CID 84942810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).