1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine

C13H15F3N2O — CID 61491274

IUPAC1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine
SMILESNc1ccc2ccn(CCCOCC(F)(F)F)c2c1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)9-19-7-1-5-18-6-4-10-2-3-11(17)8-12(10)18/h2-4,6,8H,1,5,7,9,17H2
InChIKeyIVJQWKSXRQEXNK-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.19
Rot. Bonds5

About 1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine

1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine (PubChem CID 61491274) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine
PubChem CID61491274
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine
SMILESNc1ccc2ccn(CCCOCC(F)(F)F)c2c1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)9-19-7-1-5-18-6-4-10-2-3-11(17)8-12(10)18/h2-4,6,8H,1,5,7,9,17H2
InChIKeyIVJQWKSXRQEXNK-UHFFFAOYSA-N
XLogP3.19
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine (CID 61491274) is 1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine is Nc1ccc2ccn(CCCOCC(F)(F)F)c2c1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine?
The InChIKey is IVJQWKSXRQEXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)9-19-7-1-5-18-6-4-10-2-3-11(17)8-12(10)18/h2-4,6,8H,1,5,7,9,17H2.
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine?
1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine has a molecular weight of 272.27 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propyl]indol-6-amine is sourced from PubChem (CID 61491274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).