1-(5,5,5-trifluoropentyl)indol-6-amine

C13H15F3N2 — CID 125481554

IUPAC1-(5,5,5-trifluoropentyl)indol-6-amine
SMILESNc1ccc2ccn(CCCCC(F)(F)F)c2c1
InChIInChI=1S/C13H15F3N2/c14-13(15,16)6-1-2-7-18-8-5-10-3-4-11(17)9-12(10)18/h3-5,8-9H,1-2,6-7,17H2
InChIKeyCABDKWGWUQGWMW-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.96
Rot. Bonds4

About 1-(5,5,5-trifluoropentyl)indol-6-amine

1-(5,5,5-trifluoropentyl)indol-6-amine (PubChem CID 125481554) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-(5,5,5-trifluoropentyl)indol-6-amine.

Molecular Properties

Compound Name1-(5,5,5-trifluoropentyl)indol-6-amine
PubChem CID125481554
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name1-(5,5,5-trifluoropentyl)indol-6-amine
SMILESNc1ccc2ccn(CCCCC(F)(F)F)c2c1
InChIInChI=1S/C13H15F3N2/c14-13(15,16)6-1-2-7-18-8-5-10-3-4-11(17)9-12(10)18/h3-5,8-9H,1-2,6-7,17H2
InChIKeyCABDKWGWUQGWMW-UHFFFAOYSA-N
XLogP3.96
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107
1-Methyl-1H-indole-3-ethylamine
CID 23492
5-Aminoquinoline
CID 11911
Tryptamine hydrochloride
CID 67652

Frequently Asked Questions

What is the IUPAC name of 1-(5,5,5-trifluoropentyl)indol-6-amine?
The IUPAC name of 1-(5,5,5-trifluoropentyl)indol-6-amine (CID 125481554) is 1-(5,5,5-trifluoropentyl)indol-6-amine.
What is the SMILES notation for 1-(5,5,5-trifluoropentyl)indol-6-amine?
The canonical SMILES for 1-(5,5,5-trifluoropentyl)indol-6-amine is Nc1ccc2ccn(CCCCC(F)(F)F)c2c1.
What is the InChIKey of 1-(5,5,5-trifluoropentyl)indol-6-amine?
The InChIKey is CABDKWGWUQGWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c14-13(15,16)6-1-2-7-18-8-5-10-3-4-11(17)9-12(10)18/h3-5,8-9H,1-2,6-7,17H2.
What are the key properties of 1-(5,5,5-trifluoropentyl)indol-6-amine?
1-(5,5,5-trifluoropentyl)indol-6-amine has a molecular weight of 256.27 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5,5-trifluoropentyl)indol-6-amine is sourced from PubChem (CID 125481554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).