1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine

C18H24F3N3 — CID 83984164

IUPAC1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCCn1c(C)c(CC(C)NCC(F)(F)F)c2cc3c(cc21)CNC3
InChIInChI=1S/C18H24F3N3/c1-4-24-12(3)15(5-11(2)23-10-18(19,20)21)16-6-13-8-22-9-14(13)7-17(16)24/h6-7,11,22-23H,4-5,8-10H2,1-3H3
InChIKeyANLHKYPEYVITKY-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.66
Rot. Bonds5

About 1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine

1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 83984164) has the molecular formula C18H24F3N3 and a molecular weight of 339.41 g/mol. Its IUPAC name is 1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound Name1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID83984164
Molecular FormulaC18H24F3N3
Molecular Weight339.41 g/mol
Exact Mass339.19
IUPAC Name1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCCn1c(C)c(CC(C)NCC(F)(F)F)c2cc3c(cc21)CNC3
InChIInChI=1S/C18H24F3N3/c1-4-24-12(3)15(5-11(2)23-10-18(19,20)21)16-6-13-8-22-9-14(13)7-17(16)24/h6-7,11,22-23H,4-5,8-10H2,1-3H3
InChIKeyANLHKYPEYVITKY-UHFFFAOYSA-N
XLogP3.66
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of 1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 83984164) is 1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for 1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for 1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine is CCn1c(C)c(CC(C)NCC(F)(F)F)c2cc3c(cc21)CNC3.
What is the InChIKey of 1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is ANLHKYPEYVITKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3/c1-4-24-12(3)15(5-11(2)23-10-18(19,20)21)16-6-13-8-22-9-14(13)7-17(16)24/h6-7,11,22-23H,4-5,8-10H2,1-3H3.
What are the key properties of 1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine?
1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 339.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 83984164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).