N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine

C14H17F3N2S — CID 172578423

IUPACN,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(SCC(F)(F)F)cc12
InChIInChI=1S/C14H17F3N2S/c1-19(2)6-5-10-8-18-13-4-3-11(7-12(10)13)20-9-14(15,16)17/h3-4,7-8,18H,5-6,9H2,1-2H3
InChIKeyPVYUZKLZVYZFBM-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.93
Rot. Bonds5

About N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine

N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine (PubChem CID 172578423) has the molecular formula C14H17F3N2S and a molecular weight of 302.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine
PubChem CID172578423
Molecular FormulaC14H17F3N2S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC NameN,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(SCC(F)(F)F)cc12
InChIInChI=1S/C14H17F3N2S/c1-19(2)6-5-10-8-18-13-4-3-11(7-12(10)13)20-9-14(15,16)17/h3-4,7-8,18H,5-6,9H2,1-2H3
InChIKeyPVYUZKLZVYZFBM-UHFFFAOYSA-N
XLogP3.93
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine (CID 172578423) is N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine is CN(C)CCc1c[nH]c2ccc(SCC(F)(F)F)cc12.
What is the InChIKey of N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine?
The InChIKey is PVYUZKLZVYZFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2S/c1-19(2)6-5-10-8-18-13-4-3-11(7-12(10)13)20-9-14(15,16)17/h3-4,7-8,18H,5-6,9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine has a molecular weight of 302.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-(2,2,2-trifluoroethylsulfanyl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 172578423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).