1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine

C15H19F3N2 — CID 117196602

IUPAC1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine
SMILESCCn1c(CC(C)NC)cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C15H19F3N2/c1-4-20-12(8-10(2)19-3)9-11-6-5-7-13(14(11)20)15(16,17)18/h5-7,9-10,19H,4,8H2,1-3H3
InChIKeyPXBNRSVZHRVIKU-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.83
Rot. Bonds4

About 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine

1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine (PubChem CID 117196602) has the molecular formula C15H19F3N2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine
PubChem CID117196602
Molecular FormulaC15H19F3N2
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine
SMILESCCn1c(CC(C)NC)cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C15H19F3N2/c1-4-20-12(8-10(2)19-3)9-11-6-5-7-13(14(11)20)15(16,17)18/h5-7,9-10,19H,4,8H2,1-3H3
InChIKeyPXBNRSVZHRVIKU-UHFFFAOYSA-N
XLogP3.83
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine
CID 117196600
1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-2-methylpropan-2-ol
CID 117196587
1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117196538
N-methyl-3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 117196610
1-(1-ethyl-7-methylindol-2-yl)propan-2-amine
CID 117196697
1-[1-(cyclopropylmethyl)indol-2-yl]-N-methylpropan-2-amine
CID 115107082
3-(1-ethyl-7-fluoroindol-2-yl)-2-methylpropanoic acid
CID 117196993
3-[1-propan-2-yl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196621
3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 83919994
3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
CID 117196710
1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole
CID 117184270
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117121432

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine (CID 117196602) is 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine is CCn1c(CC(C)NC)cc2cccc(C(F)(F)F)c21.
What is the InChIKey of 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine?
The InChIKey is PXBNRSVZHRVIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-4-20-12(8-10(2)19-3)9-11-6-5-7-13(14(11)20)15(16,17)18/h5-7,9-10,19H,4,8H2,1-3H3.
What are the key properties of 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine?
1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine has a molecular weight of 284.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 117196602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).