2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine

C16H15F3N2 — CID 114524548

IUPAC2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(c1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C16H15F3N2/c17-16(18,19)13-5-1-2-7-15(13)21-9-8-11-4-3-6-14(20)12(11)10-21/h1-7H,8-10,20H2
InChIKeyQDZOYCUIZHAXRF-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.85
Rot. Bonds1

About 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine

2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114524548) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114524548
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(c1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C16H15F3N2/c17-16(18,19)13-5-1-2-7-15(13)21-9-8-11-4-3-6-14(20)12(11)10-21/h1-7H,8-10,20H2
InChIKeyQDZOYCUIZHAXRF-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
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 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine (CID 114524548) is 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine is Nc1cccc2c1CN(c1ccccc1C(F)(F)F)CC2.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is QDZOYCUIZHAXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c17-16(18,19)13-5-1-2-7-15(13)21-9-8-11-4-3-6-14(20)12(11)10-21/h1-7H,8-10,20H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine?
2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 292.30 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114524548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).