N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine

C13H18N2S — CID 21180

IUPACN,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine
SMILESCSc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C13H18N2S/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyYOGJZQGRTVMCPY-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.99
Rot. Bonds4

About N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine

N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine (PubChem CID 21180) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine
PubChem CID21180
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine
SMILESCSc1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C13H18N2S/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyYOGJZQGRTVMCPY-UHFFFAOYSA-N
XLogP2.99
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indole
CID 798
N,N-Dimethyltryptamine
CID 6089
Skatole
CID 6736
Sumatriptan
CID 5358
Tryptamine
CID 1150
Eletriptan
CID 77993
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Indole-3-acetonitrile
CID 351795

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine (CID 21180) is N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine is CSc1ccc2[nH]cc(CCN(C)C)c2c1.
What is the InChIKey of N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine?
The InChIKey is YOGJZQGRTVMCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine?
N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine has a molecular weight of 234.37 g/mol, XLogP of 2.99, 4 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-methylsulfanyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 21180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).