2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine

C15H15F3N2 — CID 62812766

IUPAC2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1-c1cc(F)c(F)c(F)c1)CCCC2N
InChIInChI=1S/C15H15F3N2/c1-8-5-10-13(19)3-2-4-14(10)20(8)9-6-11(16)15(18)12(17)7-9/h5-7,13H,2-4,19H2,1H3
InChIKeyWJXGZDJMDGGIFB-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.54
Rot. Bonds1

About 2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine

2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 62812766) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID62812766
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC Name2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1-c1cc(F)c(F)c(F)c1)CCCC2N
InChIInChI=1S/C15H15F3N2/c1-8-5-10-13(19)3-2-4-14(10)20(8)9-6-11(16)15(18)12(17)7-9/h5-7,13H,2-4,19H2,1H3
InChIKeyWJXGZDJMDGGIFB-UHFFFAOYSA-N
XLogP3.54
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine (CID 62812766) is 2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine is Cc1cc2c(n1-c1cc(F)c(F)c(F)c1)CCCC2N.
What is the InChIKey of 2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is WJXGZDJMDGGIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-8-5-10-13(19)3-2-4-14(10)20(8)9-6-11(16)15(18)12(17)7-9/h5-7,13H,2-4,19H2,1H3.
What are the key properties of 2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine?
2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 280.29 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 62812766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).