2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline

C14H17NOS — CID 43750319

IUPAC2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline
SMILESCCOCc1ccccc1NCc1cccs1
InChIInChI=1S/C14H17NOS/c1-2-16-11-12-6-3-4-8-14(12)15-10-13-7-5-9-17-13/h3-9,15H,2,10-11H2,1H3
InChIKeyBRIYKIMBPHELGY-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.90
Rot. Bonds6

About 2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline

2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline (PubChem CID 43750319) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline
PubChem CID43750319
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline
SMILESCCOCc1ccccc1NCc1cccs1
InChIInChI=1S/C14H17NOS/c1-2-16-11-12-6-3-4-8-14(12)15-10-13-7-5-9-17-13/h3-9,15H,2,10-11H2,1H3
InChIKeyBRIYKIMBPHELGY-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine
CID 66386371
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
2-(ethoxymethyl)thiophene
CID 12699283
2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43792087
2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62759362
2-ethoxy-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 43706255
2-[[2-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111259040
N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline
CID 43750279
5-[[2-(ethoxymethyl)anilino]methyl]furan-2-carbonitrile
CID 115671175
2-bromo-6-[[2-(ethoxymethyl)anilino]methyl]phenol
CID 61391843
2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43750320
2-(ethoxymethyl)-N-(2-phenylethyl)aniline
CID 43750318

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline (CID 43750319) is 2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline is CCOCc1ccccc1NCc1cccs1.
What is the InChIKey of 2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is BRIYKIMBPHELGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-2-16-11-12-6-3-4-8-14(12)15-10-13-7-5-9-17-13/h3-9,15H,2,10-11H2,1H3.
What are the key properties of 2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline?
2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 247.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 43750319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).