N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine

C15H19F3N2 — CID 66408210

IUPACN-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCC(F)(F)F)c2ccccc12
InChIInChI=1S/C15H19F3N2/c1-2-8-19-10-12-11-20(9-7-15(16,17)18)14-6-4-3-5-13(12)14/h3-6,11,19H,2,7-10H2,1H3
InChIKeyAHFCLCCWLZZWGQ-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.09
Rot. Bonds6

About N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine

N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine (PubChem CID 66408210) has the molecular formula C15H19F3N2 and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine
PubChem CID66408210
Molecular FormulaC15H19F3N2
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC NameN-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCC(F)(F)F)c2ccccc12
InChIInChI=1S/C15H19F3N2/c1-2-8-19-10-12-11-20(9-7-15(16,17)18)14-6-4-3-5-13(12)14/h3-6,11,19H,2,7-10H2,1H3
InChIKeyAHFCLCCWLZZWGQ-UHFFFAOYSA-N
XLogP4.09
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.09
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

2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol
CID 79355094
N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine
CID 66410177
2,2-dimethyl-4-[3-(propylaminomethyl)indol-1-yl]butanenitrile
CID 66410175
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine
CID 124804470
N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843757
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
N-methyl-2-[3-(propylaminomethyl)indol-1-yl]acetamide
CID 66410167
1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027513
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine (CID 66408210) is N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine is CCCNCc1cn(CCC(F)(F)F)c2ccccc12.
What is the InChIKey of N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine?
The InChIKey is AHFCLCCWLZZWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-2-8-19-10-12-11-20(9-7-15(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-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine?
N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine has a molecular weight of 284.33 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 66408210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).