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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Related Compounds

3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117120954
2-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanol
CID 117120930
1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-2-methylpropan-2-ol
CID 117120932
3-(1-ethyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)-N-methylpropan-1-amine
CID 83983697
1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117120942
3-(1-ethyl-5-fluoroindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170867012
3-(5-ethoxy-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 98784252
1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133526
3-ethyl-1-methoxy-5-(trifluoromethyl)indole
CID 122488025
2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 83808287
N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine
CID 117195108
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine
CID 117195466

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).