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

C13H17F3N2 — CID 22735308

IUPACN-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCCCNC1CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C13H17F3N2/c1-2-6-17-12-5-7-18-11-4-3-9(8-10(11)12)13(14,15)16/h3-4,8,12,17-18H,2,5-7H2,1H3
InChIKeyABMZNEKNVPYTHW-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.56
Rot. Bonds3

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

N-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 22735308) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is N-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound NameN-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID22735308
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCCCNC1CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C13H17F3N2/c1-2-6-17-12-5-7-18-11-4-3-9(8-10(11)12)13(14,15)16/h3-4,8,12,17-18H,2,5-7H2,1H3
InChIKeyABMZNEKNVPYTHW-UHFFFAOYSA-N
XLogP3.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.56
H-Bond Donors ≤ 52
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
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
9-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 18520432
2,2,4,6-Tetramethyl-1,2-dihydroquinoline
CID 294062
2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole dihydrochloride
CID 134973
1-(2,3-Dihydro-1H-indol-5-ylmethyl)-propylamine
CID 13660291

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of N-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine (CID 22735308) is N-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for N-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for N-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine is CCCNC1CCNc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is ABMZNEKNVPYTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-2-6-17-12-5-7-18-11-4-3-9(8-10(11)12)13(14,15)16/h3-4,8,12,17-18H,2,5-7H2,1H3.
What are the key properties of N-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
N-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 258.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 22735308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).