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

C15H19F3N2O — CID 102914619

IUPACN-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc2ccn(CCOC(F)(F)F)c12
InChIInChI=1S/C15H19F3N2O/c1-11(2)19-10-13-5-3-4-12-6-7-20(14(12)13)8-9-21-15(16,17)18/h3-7,11,19H,8-10H2,1-2H3
InChIKeyARKMOLKOJFBGMU-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.68
Rot. Bonds6

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

N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine (PubChem CID 102914619) 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-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine
PubChem CID102914619
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc2ccn(CCOC(F)(F)F)c12
InChIInChI=1S/C15H19F3N2O/c1-11(2)19-10-13-5-3-4-12-6-7-20(14(12)13)8-9-21-15(16,17)18/h3-7,11,19H,8-10H2,1-2H3
InChIKeyARKMOLKOJFBGMU-UHFFFAOYSA-N
XLogP3.68
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine
CID 102914312
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine
CID 102914430
2,2-dimethyl-4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanenitrile
CID 102914573
methyl 4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanoate
CID 102914556
N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine
CID 102914690
4-(7-ethylindol-1-yl)-N-propan-2-ylbutan-1-amine
CID 62563359
N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine
CID 106455380
4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
CID 102915190
2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine
CID 102915151
N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine
CID 106455248
4-[7-(methylaminomethyl)indol-1-yl]butanenitrile
CID 102913981
[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol
CID 102911952

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine (CID 102914619) is N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine is CC(C)NCc1cccc2ccn(CCOC(F)(F)F)c12.
What is the InChIKey of N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine?
The InChIKey is ARKMOLKOJFBGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-11(2)19-10-13-5-3-4-12-6-7-20(14(12)13)8-9-21-15(16,17)18/h3-7,11,19H,8-10H2,1-2H3.
What are the key properties of N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine?
N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine has a molecular weight of 300.32 g/mol, XLogP of 3.68, 6 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-2-amine is sourced from PubChem (CID 102914619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).