N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine

C15H20FN5 — CID 103503117

IUPACN-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCc3ccc(F)cc32)nn1
InChIInChI=1S/C15H20FN5/c1-2-17-10-14-11-21(19-18-14)8-7-20-6-5-12-3-4-13(16)9-15(12)20/h3-4,9,11,17H,2,5-8,10H2,1H3
InChIKeyUMAPBEXGAZNJKP-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.59
Rot. Bonds6

About N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine

N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine (PubChem CID 103503117) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
PubChem CID103503117
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC NameN-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCN2CCc3ccc(F)cc32)nn1
InChIInChI=1S/C15H20FN5/c1-2-17-10-14-11-21(19-18-14)8-7-20-6-5-12-3-4-13(16)9-15(12)20/h3-4,9,11,17H,2,5-8,10H2,1H3
InChIKeyUMAPBEXGAZNJKP-UHFFFAOYSA-N
XLogP1.59
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine 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-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine
CID 107557641
N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine
CID 103503085
N-[[1-[(5-fluoro-2-methylphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 105374772
N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 114413134
N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine
CID 103502548
N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 103502851
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine
CID 103503406
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine
CID 106800163

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine (CID 103503117) is N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(CCN2CCc3ccc(F)cc32)nn1.
What is the InChIKey of N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is UMAPBEXGAZNJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-2-17-10-14-11-21(19-18-14)8-7-20-6-5-12-3-4-13(16)9-15(12)20/h3-4,9,11,17H,2,5-8,10H2,1H3.
What are the key properties of N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 289.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 103503117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).