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

C15H19F3N2 — CID 117195462

IUPACN-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine
SMILESCNC(C)c1cn(C(C)C)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C15H19F3N2/c1-9(2)20-8-13(10(3)19-4)12-7-11(15(16,17)18)5-6-14(12)20/h5-10,19H,1-4H3
InChIKeyIZCHJWVJGPWCHH-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.52
Rot. Bonds3

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

N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine (PubChem CID 117195462) has the molecular formula C15H19F3N2 and a molecular weight of 284.33 g/mol. Its IUPAC name is N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine
PubChem CID117195462
Molecular FormulaC15H19F3N2
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC NameN-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine
SMILESCNC(C)c1cn(C(C)C)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C15H19F3N2/c1-9(2)20-8-13(10(3)19-4)12-7-11(15(16,17)18)5-6-14(12)20/h5-10,19H,1-4H3
InChIKeyIZCHJWVJGPWCHH-UHFFFAOYSA-N
XLogP4.52
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(methylamino)ethyl]-1-propan-2-ylindol-5-ol
CID 117195703
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-amine
CID 117195466
2-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]propan-1-ol
CID 117122087
1-(6-chloro-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117196326
2-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]acetaldehyde
CID 117195454
2-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117120935
N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine
CID 117195401
2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol
CID 130023220
1-[1-methyl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117120939
1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117120942
1-[1-propan-2-yl-6-(trifluoromethyl)indol-3-yl]ethanone
CID 117122110
1-methyl-3-[1-(methylamino)ethyl]-6-(trifluoromethyl)quinazoline-2,4-dione
CID 117262585

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine (CID 117195462) is N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine is CNC(C)c1cn(C(C)C)c2ccc(C(F)(F)F)cc12.
What is the InChIKey of N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine?
The InChIKey is IZCHJWVJGPWCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-9(2)20-8-13(10(3)19-4)12-7-11(15(16,17)18)5-6-14(12)20/h5-10,19H,1-4H3.
What are the key properties of N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine?
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine has a molecular weight of 284.33 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine is sourced from PubChem (CID 117195462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).