N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine

C13H19F3N2O — CID 83216620

IUPACN-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCNC1CCCc2cn(CCOC(F)(F)F)cc21
InChIInChI=1S/C13H19F3N2O/c1-2-17-12-5-3-4-10-8-18(9-11(10)12)6-7-19-13(14,15)16/h8-9,12,17H,2-7H2,1H3
InChIKeyFAYBYTZRQVYNSQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.01
Rot. Bonds5

About N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine

N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83216620) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83216620
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCNC1CCCc2cn(CCOC(F)(F)F)cc21
InChIInChI=1S/C13H19F3N2O/c1-2-17-12-5-3-4-10-8-18(9-11(10)12)6-7-19-13(14,15)16/h8-9,12,17H,2-7H2,1H3
InChIKeyFAYBYTZRQVYNSQ-UHFFFAOYSA-N
XLogP3.01
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylbutyl)-N-ethyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214042
2-[2-[4-(ethylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]ethoxy]ethanol
CID 83212664
N-ethyl-2-(2-propoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 106455369
N-ethyl-2-(3-methoxy-3-methylbutyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 103035014
N-ethyl-2-(2-pyrrolidin-1-ylethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214039
N-ethyl-2-octyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83211549
N-ethyl-2-(2-methylsulfanylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 113473977
N-ethyl-2-hexyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208481
methyl 2-[4-(ethylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetate
CID 83214267
N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214118
2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83212672
N-propyl-2-(2,2,2-trifluoroethoxymethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 106705517

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine (CID 83216620) is N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine is CCNC1CCCc2cn(CCOC(F)(F)F)cc21.
What is the InChIKey of N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is FAYBYTZRQVYNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-2-17-12-5-3-4-10-8-18(9-11(10)12)6-7-19-13(14,15)16/h8-9,12,17H,2-7H2,1H3.
What are the key properties of N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine?
N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 276.30 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(trifluoromethoxy)ethyl]-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83216620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).