N,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine

C12H15F3N2 — CID 22735224

IUPACN,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCN(C)C1CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H15F3N2/c1-17(2)11-5-6-16-10-4-3-8(7-9(10)11)12(13,14)15/h3-4,7,11,16H,5-6H2,1-2H3
InChIKeyVYRRZKWJRIRYOG-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.12
Rot. Bonds1

About N,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine

N,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 22735224) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is N,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID22735224
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCN(C)C1CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H15F3N2/c1-17(2)11-5-6-16-10-4-3-8(7-9(10)11)12(13,14)15/h3-4,7,11,16H,5-6H2,1-2H3
InChIKeyVYRRZKWJRIRYOG-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dicarbine
CID 65684
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
1,2,3,4-Tetrahydroquinoline
CID 69460
1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
Stobadine
CID 108089
1-(2-(Trifluoromethyl)phenyl)piperazine
CID 2777670
9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 18520432
2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole dihydrochloride
CID 134973
1-(3,5-Bis(trifluoromethyl)phenyl)piperazine
CID 770558
8-ethyl-4-(trifluoromethyl)-1H,2H,6H,7H,8H,9H-pyrido[3,2-g]quinolin-2-one
CID 23648042
1-Azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethanamine;hydrochloride
CID 24748026

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of N,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine (CID 22735224) is N,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for N,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine is CN(C)C1CCNc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is VYRRZKWJRIRYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-17(2)11-5-6-16-10-4-3-8(7-9(10)11)12(13,14)15/h3-4,7,11,16H,5-6H2,1-2H3.
What are the key properties of N,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
N,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 244.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 22735224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).