N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine

C18H20N2S — CID 79229017

IUPACN-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine
SMILESCNCc1cccc2c1ccn2CCSc1ccccc1
InChIInChI=1S/C18H20N2S/c1-19-14-15-6-5-9-18-17(15)10-11-20(18)12-13-21-16-7-3-2-4-8-16/h2-11,19H,12-14H2,1H3
InChIKeyXRVIPNAMKWDEPR-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.15
Rot. Bonds6

About N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine

N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine (PubChem CID 79229017) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine
PubChem CID79229017
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine
SMILESCNCc1cccc2c1ccn2CCSc1ccccc1
InChIInChI=1S/C18H20N2S/c1-19-14-15-6-5-9-18-17(15)10-11-20(18)12-13-21-16-7-3-2-4-8-16/h2-11,19H,12-14H2,1H3
InChIKeyXRVIPNAMKWDEPR-UHFFFAOYSA-N
XLogP4.15
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one
CID 82899272
4-nitro-1-(2-phenylsulfanylethyl)indole
CID 116623422
N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]indol-4-yl]methanamine
CID 65162434
4-ethyl-1-(2-phenylethyl)indole
CID 143158245
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine
CID 102877971
4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
CID 113399056
1-(2-phenylsulfanylethyl)indole-3-carbaldehyde
CID 79227626
1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine
CID 104801167
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
N-methyl-1-(1-propylindol-4-yl)propan-2-amine
CID 115106942
N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine
CID 106455248
1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine
CID 102856737

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine (CID 79229017) is N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine is CNCc1cccc2c1ccn2CCSc1ccccc1.
What is the InChIKey of N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine?
The InChIKey is XRVIPNAMKWDEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-19-14-15-6-5-9-18-17(15)10-11-20(18)12-13-21-16-7-3-2-4-8-16/h2-11,19H,12-14H2,1H3.
What are the key properties of N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine?
N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine is sourced from PubChem (CID 79229017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).