N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine

C15H19NO2S — CID 60752889

IUPACN-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
SMILESCOc1ccc(OC)c(CNCCc2ccsc2)c1
InChIInChI=1S/C15H19NO2S/c1-17-14-3-4-15(18-2)13(9-14)10-16-7-5-12-6-8-19-11-12/h3-4,6,8-9,11,16H,5,7,10H2,1-2H3
InChIKeyPHGIOOSAYPPQTN-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.10
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine

N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine (PubChem CID 60752889) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
PubChem CID60752889
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
SMILESCOc1ccc(OC)c(CNCCc2ccsc2)c1
InChIInChI=1S/C15H19NO2S/c1-17-14-3-4-15(18-2)13(9-14)10-16-7-5-12-6-8-19-11-12/h3-4,6,8-9,11,16H,5,7,10H2,1-2H3
InChIKeyPHGIOOSAYPPQTN-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 N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine 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

4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol
CID 61239059
N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752325
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60976262
N-[(2,5-dimethoxyphenyl)methyl]thiophen-3-amine
CID 66351900
N-[(2,5-dimethoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730063
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 82892985
N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine
CID 62582791
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51595966
N-[(3-methoxy-5-nitrophenyl)methyl]-2-thiophen-3-ylethanamine
CID 81150360
3-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 43112090
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 107668711

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine (CID 60752889) is N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine is COc1ccc(OC)c(CNCCc2ccsc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine?
The InChIKey is PHGIOOSAYPPQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-17-14-3-4-15(18-2)13(9-14)10-16-7-5-12-6-8-19-11-12/h3-4,6,8-9,11,16H,5,7,10H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine?
N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine 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 N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 60752889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).