N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine

C12H17FN2 — CID 105462026

IUPACN-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
SMILESCCNCC1Cc2cccc(F)c2CN1
InChIInChI=1S/C12H17FN2/c1-2-14-7-10-6-9-4-3-5-12(13)11(9)8-15-10/h3-5,10,14-15H,2,6-8H2,1H3
InChIKeyQTJJZCCKPYCNID-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.45
Rot. Bonds3

About N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine

N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine (PubChem CID 105462026) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
PubChem CID105462026
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine
SMILESCCNCC1Cc2cccc(F)c2CN1
InChIInChI=1S/C12H17FN2/c1-2-14-7-10-6-9-4-3-5-12(13)11(9)8-15-10/h3-5,10,14-15H,2,6-8H2,1H3
InChIKeyQTJJZCCKPYCNID-UHFFFAOYSA-N
XLogP1.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine (CID 105462026) is N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine is CCNCC1Cc2cccc(F)c2CN1.
What is the InChIKey of N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine?
The InChIKey is QTJJZCCKPYCNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-2-14-7-10-6-9-4-3-5-12(13)11(9)8-15-10/h3-5,10,14-15H,2,6-8H2,1H3.
What are the key properties of N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine?
N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine has a molecular weight of 208.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]ethanamine is sourced from PubChem (CID 105462026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).