2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine

C12H11F3N2 — CID 28608711

IUPAC2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1cccc2cccnc12
InChIInChI=1S/C12H11F3N2/c13-12(14,15)8-16-7-10-4-1-3-9-5-2-6-17-11(9)10/h1-6,16H,7-8H2
InChIKeyADJSGNIDDBHWNC-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.89
Rot. Bonds3

About 2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine

2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine (PubChem CID 28608711) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
PubChem CID28608711
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1cccc2cccnc12
InChIInChI=1S/C12H11F3N2/c13-12(14,15)8-16-7-10-4-1-3-9-5-2-6-17-11(9)10/h1-6,16H,7-8H2
InChIKeyADJSGNIDDBHWNC-UHFFFAOYSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine 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

2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine
CID 113433192
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine
CID 107845431
N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
CID 78921379
2-chloro-N-(quinolin-8-ylmethyl)prop-2-en-1-amine
CID 79003767
N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine
CID 81428748
1-cyclobutyl-N-(quinolin-8-ylmethyl)methanamine
CID 43298300
5-(quinolin-8-ylmethylamino)pentan-1-ol
CID 81427382

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine (CID 28608711) is 2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine is FC(F)(F)CNCc1cccc2cccnc12.
What is the InChIKey of 2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine?
The InChIKey is ADJSGNIDDBHWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c13-12(14,15)8-16-7-10-4-1-3-9-5-2-6-17-11(9)10/h1-6,16H,7-8H2.
What are the key properties of 2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine has a molecular weight of 240.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine is sourced from PubChem (CID 28608711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).