2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine

C12H16N2S — CID 83917650

IUPAC2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine
SMILESCSc1cccc2c1cc(CCN)n2C
InChIInChI=1S/C12H16N2S/c1-14-9(6-7-13)8-10-11(14)4-3-5-12(10)15-2/h3-5,8H,6-7,13H2,1-2H3
InChIKeyYCXJLAMZEASSMW-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.40
Rot. Bonds3

About 2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine

2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine (PubChem CID 83917650) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine
PubChem CID83917650
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine
SMILESCSc1cccc2c1cc(CCN)n2C
InChIInChI=1S/C12H16N2S/c1-14-9(6-7-13)8-10-11(14)4-3-5-12(10)15-2/h3-5,8H,6-7,13H2,1-2H3
InChIKeyYCXJLAMZEASSMW-UHFFFAOYSA-N
XLogP2.40
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-methylindol-2-yl)methanamine
CID 82657147
2-(5-fluoro-1-methylindol-2-yl)ethanamine
CID 55253436
2-(2-methoxy-3-methylsulfanylphenyl)ethanamine
CID 117287338
2-(ethylsulfanylmethyl)-4-fluoro-1-methylindole
CID 117173469
2-(4-fluoro-1-methylindol-2-yl)acetaldehyde
CID 117194443
1-[2-(1,4-dimethylindol-2-yl)ethyl]cyclopropan-1-amine
CID 105486000
2-(4-methoxy-1-propan-2-ylindol-2-yl)ethanamine
CID 83918678
N-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine
CID 117173063
(1,4-dimethylindol-2-yl)methanol
CID 117120333
1,4,5,8-tetrakis(methylsulfanyl)anthracene
CID 12637826
(4-chloro-1-methylindol-2-yl)methanethiol
CID 117173500
1-methyl-2-propylindole
CID 13170349

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine?
The IUPAC name of 2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine (CID 83917650) is 2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine.
What is the SMILES notation for 2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine?
The canonical SMILES for 2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine is CSc1cccc2c1cc(CCN)n2C.
What is the InChIKey of 2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine?
The InChIKey is YCXJLAMZEASSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-14-9(6-7-13)8-10-11(14)4-3-5-12(10)15-2/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of 2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine?
2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine has a molecular weight of 220.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4-methylsulfanylindol-2-yl)ethanamine is sourced from PubChem (CID 83917650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).