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

C15H19NO2S — CID 60752325

IUPACN-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
SMILESCOc1cc(CNCCc2ccsc2)cc(OC)c1
InChIInChI=1S/C15H19NO2S/c1-17-14-7-13(8-15(9-14)18-2)10-16-5-3-12-4-6-19-11-12/h4,6-9,11,16H,3,5,10H2,1-2H3
InChIKeyBQCJAFGTZZLOPP-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.10
Rot. Bonds7

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

N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine (PubChem CID 60752325) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
PubChem CID60752325
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
SMILESCOc1cc(CNCCc2ccsc2)cc(OC)c1
InChIInChI=1S/C15H19NO2S/c1-17-14-7-13(8-15(9-14)18-2)10-16-5-3-12-4-6-19-11-12/h4,6-9,11,16H,3,5,10H2,1-2H3
InChIKeyBQCJAFGTZZLOPP-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-[(3,5-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

N-[(3-methoxy-5-nitrophenyl)methyl]-2-thiophen-3-ylethanamine
CID 81150360
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 82892985
N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752889
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60976262
methyl 4-[(2-thiophen-3-ylethylamino)methyl]benzoate
CID 60976725
1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451224
1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223
N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine
CID 62582791
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 64867284
N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 63455136
N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62556181

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine (CID 60752325) is N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine is COc1cc(CNCCc2ccsc2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine?
The InChIKey is BQCJAFGTZZLOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-17-14-7-13(8-15(9-14)18-2)10-16-5-3-12-4-6-19-11-12/h4,6-9,11,16H,3,5,10H2,1-2H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine?
N-[(3,5-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-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 60752325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).