2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine

C16H22N2O2S — CID 63056921

IUPAC2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCOCCNCc1cccc(OCCc2scnc2C)c1
InChIInChI=1S/C16H22N2O2S/c1-13-16(21-12-18-13)6-8-20-15-5-3-4-14(10-15)11-17-7-9-19-2/h3-5,10,12,17H,6-9,11H2,1-2H3
InChIKeyRWSLLFRZKSGMJL-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.81
Rot. Bonds9

About 2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine

2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 63056921) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID63056921
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCOCCNCc1cccc(OCCc2scnc2C)c1
InChIInChI=1S/C16H22N2O2S/c1-13-16(21-12-18-13)6-8-20-15-5-3-4-14(10-15)11-17-7-9-19-2/h3-5,10,12,17H,6-9,11H2,1-2H3
InChIKeyRWSLLFRZKSGMJL-UHFFFAOYSA-N
XLogP2.81
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.81
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

2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 63056913
N-[(3-bromophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62070812
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 62071333
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 62291596
2-methoxy-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 63057591
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 62072174
methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
CID 63056407
2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63056746
N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63055892
3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63057423

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine (CID 63056921) is 2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine is COCCNCc1cccc(OCCc2scnc2C)c1.
What is the InChIKey of 2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is RWSLLFRZKSGMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-13-16(21-12-18-13)6-8-20-15-5-3-4-14(10-15)11-17-7-9-19-2/h3-5,10,12,17H,6-9,11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine?
2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 306.43 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 63056921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).