N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine

C15H19F3N2O — CID 66410177

IUPACN-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCOC(F)(F)F)c2ccccc12
InChIInChI=1S/C15H19F3N2O/c1-2-7-19-10-12-11-20(8-9-21-15(16,17)18)14-6-4-3-5-13(12)14/h3-6,11,19H,2,7-10H2,1H3
InChIKeyKFSUTIBTRMINIU-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.68
Rot. Bonds7

About N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine

N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine (PubChem CID 66410177) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine
PubChem CID66410177
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCOC(F)(F)F)c2ccccc12
InChIInChI=1S/C15H19F3N2O/c1-2-7-19-10-12-11-20(8-9-21-15(16,17)18)14-6-4-3-5-13(12)14/h3-6,11,19H,2,7-10H2,1H3
InChIKeyKFSUTIBTRMINIU-UHFFFAOYSA-N
XLogP3.68
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]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-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine
CID 66408210
2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol
CID 79355094
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
2,2-dimethyl-4-[3-(propylaminomethyl)indol-1-yl]butanenitrile
CID 66410175
N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine
CID 102914312
N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843757
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine
CID 124804470
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine
CID 65165632
N-methyl-2-[3-(propylaminomethyl)indol-1-yl]acetamide
CID 66410167

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine (CID 66410177) is N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine is CCCNCc1cn(CCOC(F)(F)F)c2ccccc12.
What is the InChIKey of N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine?
The InChIKey is KFSUTIBTRMINIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-2-7-19-10-12-11-20(8-9-21-15(16,17)18)14-6-4-3-5-13(12)14/h3-6,11,19H,2,7-10H2,1H3.
What are the key properties of N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine?
N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine has a molecular weight of 300.32 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 66410177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).