N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine

C15H19F3N2O — CID 102914312

IUPACN-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine
SMILESCCCNCc1cccc2ccn(CCOC(F)(F)F)c12
InChIInChI=1S/C15H19F3N2O/c1-2-7-19-11-13-5-3-4-12-6-8-20(14(12)13)9-10-21-15(16,17)18/h3-6,8,19H,2,7,9-11H2,1H3
InChIKeyMHFZIEWGUUBLGH-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.68
Rot. Bonds7

About N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine

N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine (PubChem CID 102914312) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine
PubChem CID102914312
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine
SMILESCCCNCc1cccc2ccn(CCOC(F)(F)F)c12
InChIInChI=1S/C15H19F3N2O/c1-2-7-19-11-13-5-3-4-12-6-8-20(14(12)13)9-10-21-15(16,17)18/h3-6,8,19H,2,7,9-11H2,1H3
InChIKeyMHFZIEWGUUBLGH-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'}

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Related Compounds

N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine
CID 102914619
2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
CID 102914261
N-[[1-(ethoxymethyl)indol-7-yl]methyl]propan-1-amine
CID 102914380
2-[7-(propylaminomethyl)indol-1-yl]acetonitrile
CID 102914342
N-ethyl-3-[7-(propylaminomethyl)indol-1-yl]propanamide
CID 102914354
1-[7-(propylaminomethyl)indol-1-yl]propan-2-ol
CID 102914360
N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine
CID 66410177
N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine
CID 102914247
3-[7-(propylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102914318
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
CID 102914060
N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine
CID 106455380
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine
CID 102914308

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine (CID 102914312) is N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine is CCCNCc1cccc2ccn(CCOC(F)(F)F)c12.
What is the InChIKey of N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine?
The InChIKey is MHFZIEWGUUBLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-2-7-19-11-13-5-3-4-12-6-8-20(14(12)13)9-10-21-15(16,17)18/h3-6,8,19H,2,7,9-11H2,1H3.
What are the key properties of N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine?
N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-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-7-yl]methyl]propan-1-amine is sourced from PubChem (CID 102914312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).