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

C14H19F3N2 — CID 22735223

IUPACN,N-diethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCCN(CC)C1CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H19F3N2/c1-3-19(4-2)13-7-8-18-12-6-5-10(9-11(12)13)14(15,16)17/h5-6,9,13,18H,3-4,7-8H2,1-2H3
InChIKeyQVEFNRDPQWFDMR-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.90
Rot. Bonds3

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

N,N-diethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 22735223) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N,N-diethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID22735223
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN,N-diethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCCN(CC)C1CCNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H19F3N2/c1-3-19(4-2)13-7-8-18-12-6-5-10(9-11(12)13)14(15,16)17/h5-6,9,13,18H,3-4,7-8H2,1-2H3
InChIKeyQVEFNRDPQWFDMR-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of N,N-diethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine (CID 22735223) is N,N-diethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for N,N-diethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for N,N-diethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine is CCN(CC)C1CCNc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N,N-diethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is QVEFNRDPQWFDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-3-19(4-2)13-7-8-18-12-6-5-10(9-11(12)13)14(15,16)17/h5-6,9,13,18H,3-4,7-8H2,1-2H3.
What are the key properties of N,N-diethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine?
N,N-diethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 272.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 22735223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).