2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine

C15H19NO3S — CID 61079011

IUPAC2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccsc2)c(OC)c1OC
InChIInChI=1S/C15H19NO3S/c1-17-13-5-4-11(14(18-2)15(13)19-3)12(16)8-10-6-7-20-9-10/h4-7,9,12H,8,16H2,1-3H3
InChIKeyOYMMZFVCMCNMGU-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.02
Rot. Bonds6

About 2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine

2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine (PubChem CID 61079011) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine
PubChem CID61079011
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccsc2)c(OC)c1OC
InChIInChI=1S/C15H19NO3S/c1-17-13-5-4-11(14(18-2)15(13)19-3)12(16)8-10-6-7-20-9-10/h4-7,9,12H,8,16H2,1-3H3
InChIKeyOYMMZFVCMCNMGU-UHFFFAOYSA-N
XLogP3.02
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 103524417
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine
CID 55095413
(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 171199872
3-[chloro-(2,3,4-trimethoxyphenyl)methyl]thiophene
CID 61084070
1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethanamine
CID 105178685
N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 61078910
(1S)-3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-amine;hydrochloride
CID 171219378
2-(1H-imidazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanamine
CID 43635853
(3S)-3-amino-3-(2,3,4-trimethoxyphenyl)propanamide
CID 29059945
4,4-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 115850047
1-(6-methoxypyridazin-3-yl)-2-thiophen-3-ylethanamine
CID 103373901

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine?
The IUPAC name of 2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine (CID 61079011) is 2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine?
The canonical SMILES for 2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine is COc1ccc(C(N)Cc2ccsc2)c(OC)c1OC.
What is the InChIKey of 2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine?
The InChIKey is OYMMZFVCMCNMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-17-13-5-4-11(14(18-2)15(13)19-3)12(16)8-10-6-7-20-9-10/h4-7,9,12H,8,16H2,1-3H3.
What are the key properties of 2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine?
2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine has a molecular weight of 293.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 61079011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).