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

C10H11F3N2 — CID 23336604

IUPAC8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESNc1ccc2c(c1C(F)(F)F)CNCC2
InChIInChI=1S/C10H11F3N2/c11-10(12,13)9-7-5-15-4-3-6(7)1-2-8(9)14/h1-2,15H,3-5,14H2
InChIKeyFDMAVJZGTUGXFF-UHFFFAOYSA-N
MW216.21 g/mol
LogP1.93
Rot. Bonds

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

8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-amine (PubChem CID 23336604) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-amine.

Molecular Properties

Compound Name8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-amine
PubChem CID23336604
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-amine
SMILESNc1ccc2c(c1C(F)(F)F)CNCC2
InChIInChI=1S/C10H11F3N2/c11-10(12,13)9-7-5-15-4-3-6(7)1-2-8(9)14/h1-2,15H,3-5,14H2
InChIKeyFDMAVJZGTUGXFF-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'}

Analyze 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-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 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-amine?
The IUPAC name of 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-amine (CID 23336604) is 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-amine.
What is the SMILES notation for 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-amine?
The canonical SMILES for 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-amine is Nc1ccc2c(c1C(F)(F)F)CNCC2.
What is the InChIKey of 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-amine?
The InChIKey is FDMAVJZGTUGXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c11-10(12,13)9-7-5-15-4-3-6(7)1-2-8(9)14/h1-2,15H,3-5,14H2.
What are the key properties of 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-amine?
8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-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 8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-7-amine is sourced from PubChem (CID 23336604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).