N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C15H19F3N2 — CID 80577154

IUPACN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(CCC1CNc2ccccc21)C1CC1
InChIInChI=1S/C15H19F3N2/c16-15(17,18)10-20(12-5-6-12)8-7-11-9-19-14-4-2-1-3-13(11)14/h1-4,11-12,19H,5-10H2
InChIKeyYZGMXXVCWITVMI-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.61
Rot. Bonds5

About N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 80577154) has the molecular formula C15H19F3N2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID80577154
Molecular FormulaC15H19F3N2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(CCC1CNc2ccccc21)C1CC1
InChIInChI=1S/C15H19F3N2/c16-15(17,18)10-20(12-5-6-12)8-7-11-9-19-14-4-2-1-3-13(11)14/h1-4,11-12,19H,5-10H2
InChIKeyYZGMXXVCWITVMI-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 80577154) is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is FC(F)(F)CN(CCC1CNc2ccccc21)C1CC1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is YZGMXXVCWITVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c16-15(17,18)10-20(12-5-6-12)8-7-11-9-19-14-4-2-1-3-13(11)14/h1-4,11-12,19H,5-10H2.
What are the key properties of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 284.32 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 80577154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).