N-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine

C11H15F3N2 — CID 83212980

IUPACN-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(CC(F)(F)F)cc21
InChIInChI=1S/C11H15F3N2/c1-15-10-4-2-3-8-5-16(6-9(8)10)7-11(12,13)14/h5-6,10,15H,2-4,7H2,1H3
InChIKeyQPACQJOSPFJDFB-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.65
Rot. Bonds2

About N-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine

N-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83212980) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83212980
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC NameN-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(CC(F)(F)F)cc21
InChIInChI=1S/C11H15F3N2/c1-15-10-4-2-3-8-5-16(6-9(8)10)7-11(12,13)14/h5-6,10,15H,2-4,7H2,1H3
InChIKeyQPACQJOSPFJDFB-UHFFFAOYSA-N
XLogP2.65
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-Tetrahydroisoindole
CID 11788296
4,5,6,7-tetrahydro-2H-isoindol-5-amine
CID 15571645
2-Methyl-4,5,6,7-tetrahydroisoindole
CID 58435762
N,N-diethyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine
CID 15571646
N,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine
CID 15571647
6-Fluoro-4,11-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 169176623
(1R)-1-[1-methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine
CID 55295562
1-[1-Methyl-4-(trifluoromethyl)pyrrol-3-yl]ethanamine
CID 55298010
2-(1-Methylpyrrol-3-yl)-2-(trifluoromethyl)piperidine
CID 71732625
1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylpropan-1-amine
CID 79104967
N-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine
CID 79105500
N-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]butan-1-amine
CID 79107693

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine (CID 83212980) is N-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine is CNC1CCCc2cn(CC(F)(F)F)cc21.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is QPACQJOSPFJDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-15-10-4-2-3-8-5-16(6-9(8)10)7-11(12,13)14/h5-6,10,15H,2-4,7H2,1H3.
What are the key properties of N-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
N-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 232.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83212980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).