(4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine

C11H15FN2 — CID 9168734

IUPAC(4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCN(C)[C@@H]1CNCc2cccc(F)c21
InChIInChI=1S/C11H15FN2/c1-14(2)10-7-13-6-8-4-3-5-9(12)11(8)10/h3-5,10,13H,6-7H2,1-2H3/t10-/m1/s1
InChIKeyMAMJMLWQUHVHJX-SNVBAGLBSA-N
MW194.25 g/mol
LogP1.53
Rot. Bonds1

About (4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine

(4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine (PubChem CID 9168734) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is (4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine.

Molecular Properties

Compound Name(4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
PubChem CID9168734
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name(4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCN(C)[C@@H]1CNCc2cccc(F)c21
InChIInChI=1S/C11H15FN2/c1-14(2)10-7-13-6-8-4-3-5-9(12)11(8)10/h3-5,10,13H,6-7H2,1-2H3/t10-/m1/s1
InChIKeyMAMJMLWQUHVHJX-SNVBAGLBSA-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

Analyze (4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The IUPAC name of (4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine (CID 9168734) is (4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine.
What is the SMILES notation for (4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The canonical SMILES for (4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine is CN(C)[C@@H]1CNCc2cccc(F)c21.
What is the InChIKey of (4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
The InChIKey is MAMJMLWQUHVHJX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15FN2/c1-14(2)10-7-13-6-8-4-3-5-9(12)11(8)10/h3-5,10,13H,6-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine?
(4S)-5-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 (4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine is sourced from PubChem (CID 9168734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).