7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine

C10H11F3N2 — CID 21393824

IUPAC7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESNc1c(C(F)(F)F)ccc2c1CNCC2
InChIInChI=1S/C10H11F3N2/c11-10(12,13)8-2-1-6-3-4-15-5-7(6)9(8)14/h1-2,15H,3-5,14H2
InChIKeyRUADGYYDGZNAGT-UHFFFAOYSA-N
MW216.21 g/mol
LogP1.93
Rot. Bonds

About 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine

7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine (PubChem CID 21393824) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound Name7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
PubChem CID21393824
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESNc1c(C(F)(F)F)ccc2c1CNCC2
InChIInChI=1S/C10H11F3N2/c11-10(12,13)8-2-1-6-3-4-15-5-7(6)9(8)14/h1-2,15H,3-5,14H2
InChIKeyRUADGYYDGZNAGT-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The IUPAC name of 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine (CID 21393824) is 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The canonical SMILES for 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine is Nc1c(C(F)(F)F)ccc2c1CNCC2.
What is the InChIKey of 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The InChIKey is RUADGYYDGZNAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c11-10(12,13)8-2-1-6-3-4-15-5-7(6)9(8)14/h1-2,15H,3-5,14H2.
What are the key properties of 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine has a molecular weight of 216.21 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 21393824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).