N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine

C13H15F3N2 — CID 117195108

IUPACN-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine
SMILESCNCCCc1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C13H15F3N2/c1-17-6-2-3-11-8-9-7-10(13(14,15)16)4-5-12(9)18-11/h4-5,7-8,17-18H,2-3,6H2,1H3
InChIKeyDXLNAAIMYFSSJG-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.34
Rot. Bonds4

About N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine

N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine (PubChem CID 117195108) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine
PubChem CID117195108
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC NameN-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine
SMILESCNCCCc1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C13H15F3N2/c1-17-6-2-3-11-8-9-7-10(13(14,15)16)4-5-12(9)18-11/h4-5,7-8,17-18H,2-3,6H2,1H3
InChIKeyDXLNAAIMYFSSJG-UHFFFAOYSA-N
XLogP3.34
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[5-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 117195095
2-(5-fluoro-1H-indol-2-yl)-N-methylethanamine
CID 82604676
N-methyl-3-[6-(trifluoromethyl)-1-benzothiophen-2-yl]propan-1-amine
CID 117195746
2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one
CID 162537419
3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine
CID 117196860
2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 83808287
[5-(trifluoromethyl)-1H-indol-2-yl]methyl propanoate
CID 174546520
N-methyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propan-1-amine
CID 43152023
acetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine
CID 143673564
N-methyl-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62136889
5-fluoro-2-pentyl-1H-indole;3,3,3-trifluoroprop-1-ene
CID 159912969
3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]-N-methylpropan-1-amine
CID 117195467

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine (CID 117195108) is N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine is CNCCCc1cc2cc(C(F)(F)F)ccc2[nH]1.
What is the InChIKey of N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine?
The InChIKey is DXLNAAIMYFSSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c1-17-6-2-3-11-8-9-7-10(13(14,15)16)4-5-12(9)18-11/h4-5,7-8,17-18H,2-3,6H2,1H3.
What are the key properties of N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine?
N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine has a molecular weight of 256.27 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-(trifluoromethyl)-1H-indol-2-yl]propan-1-amine is sourced from PubChem (CID 117195108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).