N-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine

C19H24N2O2S — CID 178015048

IUPACN-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine
SMILESCOCCN(C)CCc1c[nH]c2cccc(OCc3ccsc3)c12
InChIInChI=1S/C19H24N2O2S/c1-21(9-10-22-2)8-6-16-12-20-17-4-3-5-18(19(16)17)23-13-15-7-11-24-14-15/h3-5,7,11-12,14,20H,6,8-10,13H2,1-2H3
InChIKeyBJQWBJKSXLIOQQ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.93
Rot. Bonds9

About N-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine

N-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine (PubChem CID 178015048) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine
PubChem CID178015048
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine
SMILESCOCCN(C)CCc1c[nH]c2cccc(OCc3ccsc3)c12
InChIInChI=1S/C19H24N2O2S/c1-21(9-10-22-2)8-6-16-12-20-17-4-3-5-18(19(16)17)23-13-15-7-11-24-14-15/h3-5,7,11-12,14,20H,6,8-10,13H2,1-2H3
InChIKeyBJQWBJKSXLIOQQ-UHFFFAOYSA-N
XLogP3.93
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine
CID 156852024
N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24801934
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 132988764
2-[4-(thiophen-3-ylmethylsulfanyl)-1H-indol-3-yl]-N,N-bis(trideuteriomethyl)ethanamine
CID 178015105
N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 131852240
2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide
CID 67134600
N-ethyl-N-methyl-2-[4-[[(5S)-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl]oxy]-1H-indol-3-yl]ethanamine
CID 170723206
3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol
CID 172624995
2-[2-(4-fluoro-1H-indol-3-yl)ethyl-methylamino]ethanol
CID 169001095
2-(hydroxymethyl)-6-[[3-[2-[methyl(propyl)amino]ethyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol
CID 170690559
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 4-methoxybenzoate
CID 169040368
3-(2-ethylselanylethyl)-4-methoxy-1H-indole
CID 167475252

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine (CID 178015048) is N-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine is COCCN(C)CCc1c[nH]c2cccc(OCc3ccsc3)c12.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine?
The InChIKey is BJQWBJKSXLIOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-21(9-10-22-2)8-6-16-12-20-17-4-3-5-18(19(16)17)23-13-15-7-11-24-14-15/h3-5,7,11-12,14,20H,6,8-10,13H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine?
N-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine has a molecular weight of 344.48 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-2-[4-(thiophen-3-ylmethoxy)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 178015048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).