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

C10H11F3N2 — CID 165456162

IUPAC4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESNc1cccc2c1CNCC2C(F)(F)F
InChIInChI=1S/C10H11F3N2/c11-10(12,13)8-5-15-4-7-6(8)2-1-3-9(7)14/h1-3,8,15H,4-5,14H2
InChIKeyPKRYYBUUOZLNJP-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.02
Rot. Bonds

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

4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine (PubChem CID 165456162) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
PubChem CID165456162
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
SMILESNc1cccc2c1CNCC2C(F)(F)F
InChIInChI=1S/C10H11F3N2/c11-10(12,13)8-5-15-4-7-6(8)2-1-3-9(7)14/h1-3,8,15H,4-5,14H2
InChIKeyPKRYYBUUOZLNJP-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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 4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The IUPAC name of 4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine (CID 165456162) is 4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine.
What is the SMILES notation for 4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The canonical SMILES for 4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine is Nc1cccc2c1CNCC2C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
The InChIKey is PKRYYBUUOZLNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c11-10(12,13)8-5-15-4-7-6(8)2-1-3-9(7)14/h1-3,8,15H,4-5,14H2.
What are the key properties of 4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine?
4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine has a molecular weight of 216.21 g/mol, XLogP of 2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine is sourced from PubChem (CID 165456162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).