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

C13H19F3N2 — CID 83212226

IUPACN-methyl-2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(CCCC(F)(F)F)cc21
InChIInChI=1S/C13H19F3N2/c1-17-12-5-2-4-10-8-18(9-11(10)12)7-3-6-13(14,15)16/h8-9,12,17H,2-7H2,1H3
InChIKeyAUQWMRXHJBIOGO-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.43
Rot. Bonds4

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

N-methyl-2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83212226) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-methyl-2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound NameN-methyl-2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83212226
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC NameN-methyl-2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(CCCC(F)(F)F)cc21
InChIInChI=1S/C13H19F3N2/c1-17-12-5-2-4-10-8-18(9-11(10)12)7-3-6-13(14,15)16/h8-9,12,17H,2-7H2,1H3
InChIKeyAUQWMRXHJBIOGO-UHFFFAOYSA-N
XLogP3.43
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-amine with MolForge

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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
(3R)-2-[6-[(Z)-1-fluoro-2-[(Z)-prop-1-enyl]hex-4-enyl]-2-methyl-4,5,6,7-tetrahydroisoindol-4-yl]-N,1,2,4-tetramethylazetidin-3-amine
CID 126703336
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
N-methyl-1-[1-(3,3,3-trifluoropropyl)pyrrol-3-yl]propan-1-amine
CID 79104714
N-ethyl-1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-1-amine
CID 79104899
1-[1-(difluoromethyl)pyrrol-3-yl]-N-propylpropan-1-amine
CID 79105529

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of N-methyl-2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-amine (CID 83212226) is N-methyl-2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for N-methyl-2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for N-methyl-2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-amine is CNC1CCCc2cn(CCCC(F)(F)F)cc21.
What is the InChIKey of N-methyl-2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is AUQWMRXHJBIOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-17-12-5-2-4-10-8-18(9-11(10)12)7-3-6-13(14,15)16/h8-9,12,17H,2-7H2,1H3.
What are the key properties of N-methyl-2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-amine?
N-methyl-2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 260.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83212226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).