2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine

C14H17NO2S — CID 54931143

IUPAC2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
SMILESCOc1ccc(OCc2cccs2)c(CCN)c1
InChIInChI=1S/C14H17NO2S/c1-16-12-4-5-14(11(9-12)6-7-15)17-10-13-3-2-8-18-13/h2-5,8-9H,6-7,10,15H2,1H3
InChIKeyKNOIYWSIWRMXFS-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.84
Rot. Bonds6

About 2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine

2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine (PubChem CID 54931143) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
PubChem CID54931143
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
SMILESCOc1ccc(OCc2cccs2)c(CCN)c1
InChIInChI=1S/C14H17NO2S/c1-16-12-4-5-14(11(9-12)6-7-15)17-10-13-3-2-8-18-13/h2-5,8-9H,6-7,10,15H2,1H3
InChIKeyKNOIYWSIWRMXFS-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877961
2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 60906080
2-[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]ethanamine
CID 61482092
2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935989
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767
2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile
CID 60905751
2-[5-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63774428
3-(2,5-dimethoxyphenyl)-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propanamide
CID 38021262
2-[(2-methoxy-4,5-dimethylphenoxy)methyl]thiophene
CID 59921100
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182
2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 61267654
2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643613

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine (CID 54931143) is 2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine is COc1ccc(OCc2cccs2)c(CCN)c1.
What is the InChIKey of 2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is KNOIYWSIWRMXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-16-12-4-5-14(11(9-12)6-7-15)17-10-13-3-2-8-18-13/h2-5,8-9H,6-7,10,15H2,1H3.
What are the key properties of 2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine?
2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 263.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 54931143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).