3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine

C17H16F3N3O — CID 159612419

IUPAC3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine
SMILESC[C@@H](c1ccc(OCC(F)(F)F)nc1)c1c(N)[nH]c2ccccc12
InChIInChI=1S/C17H16F3N3O/c1-10(15-12-4-2-3-5-13(12)23-16(15)21)11-6-7-14(22-8-11)24-9-17(18,19)20/h2-8,10,23H,9,21H2,1H3/t10-/m0/s1
InChIKeyTZUHRSXTAVAUEH-JTQLQIEISA-N
MW335.33 g/mol
LogP4.24
Rot. Bonds4

About 3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine

3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine (PubChem CID 159612419) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine.

Molecular Properties

Compound Name3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine
PubChem CID159612419
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine
SMILESC[C@@H](c1ccc(OCC(F)(F)F)nc1)c1c(N)[nH]c2ccccc12
InChIInChI=1S/C17H16F3N3O/c1-10(15-12-4-2-3-5-13(12)23-16(15)21)11-6-7-14(22-8-11)24-9-17(18,19)20/h2-8,10,23H,9,21H2,1H3/t10-/m0/s1
InChIKeyTZUHRSXTAVAUEH-JTQLQIEISA-N
XLogP4.24
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine?
The IUPAC name of 3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine (CID 159612419) is 3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine.
What is the SMILES notation for 3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine?
The canonical SMILES for 3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine is C[C@@H](c1ccc(OCC(F)(F)F)nc1)c1c(N)[nH]c2ccccc12.
What is the InChIKey of 3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine?
The InChIKey is TZUHRSXTAVAUEH-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-10(15-12-4-2-3-5-13(12)23-16(15)21)11-6-7-14(22-8-11)24-9-17(18,19)20/h2-8,10,23H,9,21H2,1H3/t10-/m0/s1.
What are the key properties of 3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine?
3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine has a molecular weight of 335.33 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine is sourced from PubChem (CID 159612419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).