3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine

C15H19F3N2 — CID 117195467

IUPAC3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine
SMILESCCn1cc(CCCNC)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H19F3N2/c1-3-20-10-11(5-4-8-19-2)13-9-12(15(16,17)18)6-7-14(13)20/h6-7,9-10,19H,3-5,8H2,1-2H3
InChIKeyBIBJWHNJNCYPKL-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.83
Rot. Bonds5

About 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine

3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine (PubChem CID 117195467) has the molecular formula C15H19F3N2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine
PubChem CID117195467
Molecular FormulaC15H19F3N2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine
SMILESCCn1cc(CCCNC)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C15H19F3N2/c1-3-20-10-11(5-4-8-19-2)13-9-12(15(16,17)18)6-7-14(13)20/h6-7,9-10,19H,3-5,8H2,1-2H3
InChIKeyBIBJWHNJNCYPKL-UHFFFAOYSA-N
XLogP3.83
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine (CID 117195467) is 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine is CCn1cc(CCCNC)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine?
The InChIKey is BIBJWHNJNCYPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-3-20-10-11(5-4-8-19-2)13-9-12(15(16,17)18)6-7-14(13)20/h6-7,9-10,19H,3-5,8H2,1-2H3.
What are the key properties of 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine?
3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine has a molecular weight of 284.32 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 117195467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).