2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine

C15H19NO2S — CID 4544980

IUPAC2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCOc1ccc(CCNCc2ccsc2)cc1OC
InChIInChI=1S/C15H19NO2S/c1-17-14-4-3-12(9-15(14)18-2)5-7-16-10-13-6-8-19-11-13/h3-4,6,8-9,11,16H,5,7,10H2,1-2H3
InChIKeySHVMXSFFCMBCAM-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.10
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine

2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 4544980) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID4544980
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
SMILESCOc1ccc(CCNCc2ccsc2)cc1OC
InChIInChI=1S/C15H19NO2S/c1-17-14-4-3-12(9-15(14)18-2)5-7-16-10-13-6-8-19-11-13/h3-4,6,8-9,11,16H,5,7,10H2,1-2H3
InChIKeySHVMXSFFCMBCAM-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)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

N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
N-Benzo[1,3]dioxol-5-ylmethyl-3-thiophen-2-yl-acrylamide
CID 784454
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 6623334
2-(3,4-Dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 2998642
Thiophene-2-acetamide, N-(3,4-dimethoxyphenethyl)-
CID 785974
2-(2-propan-2-yloxyphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]ethanamine
CID 16109492
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 2206758
2-(3,4-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2976026
[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868415
N-[1-(3,4-diethoxyphenyl)ethyl]-2-thiophenecarboxamide
CID 5013707
[2-(3,4-Dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 6458577

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine (CID 4544980) is 2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine is COc1ccc(CCNCc2ccsc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is SHVMXSFFCMBCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-17-14-4-3-12(9-15(14)18-2)5-7-16-10-13-6-8-19-11-13/h3-4,6,8-9,11,16H,5,7,10H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine?
2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 277.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 4544980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).