N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine

C15H19F3N2 — CID 166157959

IUPACN-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCCCN(CC)CCc1c[nH]c2c(F)c(F)c(F)cc12
InChIInChI=1S/C15H19F3N2/c1-3-6-20(4-2)7-5-10-9-19-15-11(10)8-12(16)13(17)14(15)18/h8-9,19H,3-7H2,1-2H3
InChIKeyBUBPAPNZVPCEIC-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.86
Rot. Bonds6

About N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine

N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine (PubChem CID 166157959) has the molecular formula C15H19F3N2 and a molecular weight of 284.33 g/mol. Its IUPAC name is N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine
PubChem CID166157959
Molecular FormulaC15H19F3N2
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC NameN-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCCCN(CC)CCc1c[nH]c2c(F)c(F)c(F)cc12
InChIInChI=1S/C15H19F3N2/c1-3-6-20(4-2)7-5-10-9-19-15-11(10)8-12(16)13(17)14(15)18/h8-9,19H,3-7H2,1-2H3
InChIKeyBUBPAPNZVPCEIC-UHFFFAOYSA-N
XLogP3.86
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836218
N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine
CID 166158001
N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine
CID 156836225
N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-N-methylpropan-1-amine
CID 166158101
[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate
CID 156836278
N-ethyl-N-[2-(5-methoxy-6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 168946991
N,N-diethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)ethanamine
CID 168946783
2-chloro-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]acetamide
CID 146100755
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine
CID 167205055
1-(diaminomethylidene)-2-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]guanidine
CID 146250279
[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-6-yl] butanoate
CID 169222076

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine (CID 166157959) is N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine is CCCN(CC)CCc1c[nH]c2c(F)c(F)c(F)cc12.
What is the InChIKey of N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine?
The InChIKey is BUBPAPNZVPCEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-3-6-20(4-2)7-5-10-9-19-15-11(10)8-12(16)13(17)14(15)18/h8-9,19H,3-7H2,1-2H3.
What are the key properties of N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine?
N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine has a molecular weight of 284.33 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(5,6,7-trifluoro-1H-indol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 166157959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).