3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine

C13H13F3N2 — CID 81231735

IUPAC3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1cccc2cccnc12
InChIInChI=1S/C13H13F3N2/c1-17-11(8-13(14,15)16)10-6-2-4-9-5-3-7-18-12(9)10/h2-7,11,17H,8H2,1H3
InChIKeyQNGHOWKMGRKNDD-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.45
Rot. Bonds3

About 3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine

3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine (PubChem CID 81231735) has the molecular formula C13H13F3N2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine
PubChem CID81231735
Molecular FormulaC13H13F3N2
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1cccc2cccnc12
InChIInChI=1S/C13H13F3N2/c1-17-11(8-13(14,15)16)10-6-2-4-9-5-3-7-18-12(9)10/h2-7,11,17H,8H2,1H3
InChIKeyQNGHOWKMGRKNDD-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-quinolin-8-ylbut-3-yn-1-amine
CID 105077186
N-methyl-1-quinolin-8-ylpent-4-yn-1-amine
CID 105148985
N-methyl-3-propoxy-1-quinolin-8-ylpropan-1-amine
CID 105172455
2-(propan-2-ylamino)-2-quinolin-8-ylethanol
CID 63968321
ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
CID 65236794
2-(3-chlorophenyl)-N-methyl-1-quinolin-8-ylethanamine
CID 81210656
2-(furan-3-yl)-N-methyl-1-quinolin-8-ylethanamine
CID 105177547
4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol
CID 64566378
2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine
CID 105139399
N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine
CID 105113637
1-(1-ethylimidazol-2-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 62875579
1-(2,6-difluorophenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 81229518

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine (CID 81231735) is 3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine is CNC(CC(F)(F)F)c1cccc2cccnc12.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine?
The InChIKey is QNGHOWKMGRKNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-17-11(8-13(14,15)16)10-6-2-4-9-5-3-7-18-12(9)10/h2-7,11,17H,8H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine?
3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine has a molecular weight of 254.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine is sourced from PubChem (CID 81231735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).