2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine

C15H19NO2S — CID 63986148

IUPAC2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine
SMILESCOCc1cccc(OC(CN)c2ccc(C)s2)c1
InChIInChI=1S/C15H19NO2S/c1-11-6-7-15(19-11)14(9-16)18-13-5-3-4-12(8-13)10-17-2/h3-8,14H,9-10,16H2,1-2H3
InChIKeyRRNNKAPRFPZWIB-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.28
Rot. Bonds6

About 2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine

2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine (PubChem CID 63986148) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine
PubChem CID63986148
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine
SMILESCOCc1cccc(OC(CN)c2ccc(C)s2)c1
InChIInChI=1S/C15H19NO2S/c1-11-6-7-15(19-11)14(9-16)18-13-5-3-4-12(8-13)10-17-2/h3-8,14H,9-10,16H2,1-2H3
InChIKeyRRNNKAPRFPZWIB-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-fluorophenoxy)-2-(5-methylthiophen-2-yl)ethanamine
CID 65204033
2-[3-(methoxymethyl)phenoxy]pentan-1-amine
CID 83045465
3,3,3-trifluoro-2-[3-(methoxymethyl)phenoxy]propan-1-amine
CID 63985750
3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757
2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine
CID 62338444
2-[3-(methoxymethyl)phenoxy]pentan-3-amine
CID 63984771
1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone
CID 63986786
4-[3-(methoxymethyl)phenoxy]pentan-2-ol
CID 64720842
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
CID 63986561
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 77014267
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 63984205

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine (CID 63986148) is 2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine is COCc1cccc(OC(CN)c2ccc(C)s2)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is RRNNKAPRFPZWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11-6-7-15(19-11)14(9-16)18-13-5-3-4-12(8-13)10-17-2/h3-8,14H,9-10,16H2,1-2H3.
What are the key properties of 2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine?
2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 277.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)phenoxy]-2-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 63986148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).