2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine

C15H19F3N2 — CID 102915151

IUPAC2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc2ccn(CC(F)(F)F)c12
InChIInChI=1S/C15H19F3N2/c1-14(2,3)19-9-12-6-4-5-11-7-8-20(13(11)12)10-15(16,17)18/h4-8,19H,9-10H2,1-3H3
InChIKeyMPKJJTYQBGEQTA-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.09
Rot. Bonds3

About 2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine

2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine (PubChem CID 102915151) has the molecular formula C15H19F3N2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine
PubChem CID102915151
Molecular FormulaC15H19F3N2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc2ccn(CC(F)(F)F)c12
InChIInChI=1S/C15H19F3N2/c1-14(2,3)19-9-12-6-4-5-11-7-8-20(13(11)12)10-15(16,17)18/h4-8,19H,9-10H2,1-3H3
InChIKeyMPKJJTYQBGEQTA-UHFFFAOYSA-N
XLogP4.09
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-2-amine
CID 79185979
4-[7-[(tert-butylamino)methyl]indol-1-yl]-2-methylbutan-2-ol
CID 102915153
2-[7-[(tert-butylamino)methyl]indol-1-yl]acetamide
CID 102915184
4-[7-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
CID 102915190
ethyl 2-[7-[(tert-butylamino)methyl]indol-1-yl]acetate
CID 102915277
3-[7-(ethylaminomethyl)indol-1-yl]-2,2-dimethylpropanoic acid
CID 102914180
1-(2,2-difluoro-2-phenylethyl)-7-ethylindole
CID 116790673
N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-2-amine
CID 102914619
1-(1-ethylindol-7-yl)-2-methylpropan-2-ol
CID 115115004
[1-(3,3,3-trifluoropropyl)indol-7-yl]methanamine
CID 102913583
N-[[1-[2-(trifluoromethoxy)ethyl]indol-7-yl]methyl]propan-1-amine
CID 102914312
methyl 3-[7-(hydroxymethyl)indol-1-yl]-2,2-dimethylpropanoate
CID 102912141

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine (CID 102915151) is 2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine is CC(C)(C)NCc1cccc2ccn(CC(F)(F)F)c12.
What is the InChIKey of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine?
The InChIKey is MPKJJTYQBGEQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-14(2,3)19-9-12-6-4-5-11-7-8-20(13(11)12)10-15(16,17)18/h4-8,19H,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine has a molecular weight of 284.32 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2,2,2-trifluoroethyl)indol-7-yl]methyl]propan-2-amine is sourced from PubChem (CID 102915151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).