2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine

C17H19FN2 — CID 115918131

IUPAC2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
SMILESNCC(F)(c1ccccc1)C1NCCc2ccccc21
InChIInChI=1S/C17H19FN2/c18-17(12-19,14-7-2-1-3-8-14)16-15-9-5-4-6-13(15)10-11-20-16/h1-9,16,20H,10-12,19H2
InChIKeyXMRRVTLFGFUPEO-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.70
Rot. Bonds3

About 2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine

2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine (PubChem CID 115918131) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
PubChem CID115918131
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
SMILESNCC(F)(c1ccccc1)C1NCCc2ccccc21
InChIInChI=1S/C17H19FN2/c18-17(12-19,14-7-2-1-3-8-14)16-15-9-5-4-6-13(15)10-11-20-16/h1-9,16,20H,10-12,19H2
InChIKeyXMRRVTLFGFUPEO-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine?
The IUPAC name of 2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine (CID 115918131) is 2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine.
What is the SMILES notation for 2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine?
The canonical SMILES for 2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine is NCC(F)(c1ccccc1)C1NCCc2ccccc21.
What is the InChIKey of 2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine?
The InChIKey is XMRRVTLFGFUPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-17(12-19,14-7-2-1-3-8-14)16-15-9-5-4-6-13(15)10-11-20-16/h1-9,16,20H,10-12,19H2.
What are the key properties of 2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine?
2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine has a molecular weight of 270.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine is sourced from PubChem (CID 115918131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).