N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine

C16H21NO3S — CID 61078910

IUPACN-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
SMILESCNC(Cc1ccsc1)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C16H21NO3S/c1-17-13(7-11-5-6-21-10-11)12-8-15(19-3)16(20-4)9-14(12)18-2/h5-6,8-10,13,17H,7H2,1-4H3
InChIKeyANFVTQWMGKXYJK-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.28
Rot. Bonds7

About N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine

N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine (PubChem CID 61078910) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
PubChem CID61078910
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
SMILESCNC(Cc1ccsc1)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C16H21NO3S/c1-17-13(7-11-5-6-21-10-11)12-8-15(19-3)16(20-4)9-14(12)18-2/h5-6,8-10,13,17H,7H2,1-4H3
InChIKeyANFVTQWMGKXYJK-UHFFFAOYSA-N
XLogP3.28
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 103524417
1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078376
N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 106792623
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 102951091
1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077843
1-(2,3-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077656
2-thiophen-3-yl-1-(2,3,4-trimethoxyphenyl)ethanamine
CID 61079011
1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine
CID 55095413
[1-(3-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]hydrazine
CID 105297667
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 106682372
1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078368
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105164504

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine (CID 61078910) is N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine is CNC(Cc1ccsc1)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is ANFVTQWMGKXYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-17-13(7-11-5-6-21-10-11)12-8-15(19-3)16(20-4)9-14(12)18-2/h5-6,8-10,13,17H,7H2,1-4H3.
What are the key properties of N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine?
N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 307.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 61078910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).