N,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine

C18H20N2S — CID 24776941

IUPACN,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine
SMILESCN(C)CCc1cn(Sc2ccccc2)c2ccccc12
InChIInChI=1S/C18H20N2S/c1-19(2)13-12-15-14-20(18-11-7-6-10-17(15)18)21-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
InChIKeyAPYJLIWKKMRCGM-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.30
Rot. Bonds5

About N,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine

N,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine (PubChem CID 24776941) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine
PubChem CID24776941
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine
SMILESCN(C)CCc1cn(Sc2ccccc2)c2ccccc12
InChIInChI=1S/C18H20N2S/c1-19(2)13-12-15-14-20(18-11-7-6-10-17(15)18)21-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
InChIKeyAPYJLIWKKMRCGM-UHFFFAOYSA-N
XLogP4.30
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine (CID 24776941) is N,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine is CN(C)CCc1cn(Sc2ccccc2)c2ccccc12.
What is the InChIKey of N,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine?
The InChIKey is APYJLIWKKMRCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-19(2)13-12-15-14-20(18-11-7-6-10-17(15)18)21-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine?
N,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine has a molecular weight of 296.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-phenylsulfanylindol-3-yl)ethanamine is sourced from PubChem (CID 24776941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).