N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine

C15H20N2O2S — CID 62196174

IUPACN-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCOc1cccc(CNCCc2nccs2)c1OC
InChIInChI=1S/C15H20N2O2S/c1-3-19-13-6-4-5-12(15(13)18-2)11-16-8-7-14-17-9-10-20-14/h4-6,9-10,16H,3,7-8,11H2,1-2H3
InChIKeyVSORZBTZVMDQJG-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.88
Rot. Bonds8

About N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine

N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 62196174) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID62196174
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCOc1cccc(CNCCc2nccs2)c1OC
InChIInChI=1S/C15H20N2O2S/c1-3-19-13-6-4-5-12(15(13)18-2)11-16-8-7-14-17-9-10-20-14/h4-6,9-10,16H,3,7-8,11H2,1-2H3
InChIKeyVSORZBTZVMDQJG-UHFFFAOYSA-N
XLogP2.88
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43221014
N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220481
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730122
N-[(3-ethoxy-2-methoxyphenyl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115592078
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632638
2-[2-[(3-ethoxy-2-methoxyphenyl)methylamino]ethoxy]ethanol
CID 43220976
N-(isoquinolin-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 63242304
3-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]benzene-1,2-diol
CID 63242570
1-(3-ethoxy-2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 61280616
2-(2,2-difluoroethoxy)-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine
CID 103080982
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
2-chloro-6-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 112554405

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 62196174) is N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is CCOc1cccc(CNCCc2nccs2)c1OC.
What is the InChIKey of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is VSORZBTZVMDQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-19-13-6-4-5-12(15(13)18-2)11-16-8-7-14-17-9-10-20-14/h4-6,9-10,16H,3,7-8,11H2,1-2H3.
What are the key properties of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 292.40 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 62196174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).