2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine

C16H21NO2S — CID 61267654

IUPAC2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine
SMILESCCc1ccc(COc2cc(OC)ccc2CCN)s1
InChIInChI=1S/C16H21NO2S/c1-3-14-6-7-15(20-14)11-19-16-10-13(18-2)5-4-12(16)8-9-17/h4-7,10H,3,8-9,11,17H2,1-2H3
InChIKeyAXMXNACNVLEAMH-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.40
Rot. Bonds7

About 2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine

2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine (PubChem CID 61267654) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine
PubChem CID61267654
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine
SMILESCCc1ccc(COc2cc(OC)ccc2CCN)s1
InChIInChI=1S/C16H21NO2S/c1-3-14-6-7-15(20-14)11-19-16-10-13(18-2)5-4-12(16)8-9-17/h4-7,10H,3,8-9,11,17H2,1-2H3
InChIKeyAXMXNACNVLEAMH-UHFFFAOYSA-N
XLogP3.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643613
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine
CID 60905963
2-[4-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanamine
CID 61269283
2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine
CID 61483570
2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 61268017
2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 54931143
2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977200
3-[[2-(2-aminoethyl)-5-methoxyphenoxy]methyl]benzonitrile
CID 61269472
2-[5-[(5-ethylthiophen-2-yl)methoxy]-2-pyridinyl]ethanamine
CID 79800152
2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine
CID 20984431
[2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine
CID 60878324

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine?
The IUPAC name of 2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine (CID 61267654) is 2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine is CCc1ccc(COc2cc(OC)ccc2CCN)s1.
What is the InChIKey of 2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine?
The InChIKey is AXMXNACNVLEAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-3-14-6-7-15(20-14)11-19-16-10-13(18-2)5-4-12(16)8-9-17/h4-7,10H,3,8-9,11,17H2,1-2H3.
What are the key properties of 2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine?
2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 61267654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).