2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

C17H23NOS — CID 43792087

IUPAC2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCCOCc1ccccc1NC(c1cccs1)C(C)C
InChIInChI=1S/C17H23NOS/c1-4-19-12-14-8-5-6-9-15(14)18-17(13(2)3)16-10-7-11-20-16/h5-11,13,17-18H,4,12H2,1-3H3
InChIKeySVUINDLZAOTYBK-UHFFFAOYSA-N
MW289.44 g/mol
LogP5.09
Rot. Bonds7

About 2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (PubChem CID 43792087) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
PubChem CID43792087
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCCOCc1ccccc1NC(c1cccs1)C(C)C
InChIInChI=1S/C17H23NOS/c1-4-19-12-14-8-5-6-9-15(14)18-17(13(2)3)16-10-7-11-20-16/h5-11,13,17-18H,4,12H2,1-3H3
InChIKeySVUINDLZAOTYBK-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993290
2-(ethoxymethyl)-N-(4-methylpentan-2-yl)aniline
CID 43750390
2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43750319
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline
CID 43750243
4-[1-[2-(ethoxymethyl)anilino]ethyl]phenol
CID 43750386
N-(dithiophen-2-ylmethyl)-2-ethylaniline
CID 43764558
3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 61166779
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115464510
2-[1-[2-(ethoxymethyl)anilino]ethyl]benzene-1,4-diol
CID 43750383
2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43750446

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (CID 43792087) is 2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is CCOCc1ccccc1NC(c1cccs1)C(C)C.
What is the InChIKey of 2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The InChIKey is SVUINDLZAOTYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-4-19-12-14-8-5-6-9-15(14)18-17(13(2)3)16-10-7-11-20-16/h5-11,13,17-18H,4,12H2,1-3H3.
What are the key properties of 2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline has a molecular weight of 289.44 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 43792087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).