2-(ethoxymethyl)-N-ethylaniline

C11H17NO — CID 43750443

IUPAC2-(ethoxymethyl)-N-ethylaniline
SMILESCCNc1ccccc1COCC
InChIInChI=1S/C11H17NO/c1-3-12-11-8-6-5-7-10(11)9-13-4-2/h5-8,12H,3-4,9H2,1-2H3
InChIKeyOFMLMHWHIZHXNQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.65
Rot. Bonds5

About 2-(ethoxymethyl)-N-ethylaniline

2-(ethoxymethyl)-N-ethylaniline (PubChem CID 43750443) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-ethylaniline.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-ethylaniline
PubChem CID43750443
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(ethoxymethyl)-N-ethylaniline
SMILESCCNc1ccccc1COCC
InChIInChI=1S/C11H17NO/c1-3-12-11-8-6-5-7-10(11)9-13-4-2/h5-8,12H,3-4,9H2,1-2H3
InChIKeyOFMLMHWHIZHXNQ-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethoxymethyl)-N-(2-phenylethyl)aniline
CID 43750318
2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43750319
2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62759362
2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline
CID 79707928
N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline
CID 43750279
2-bromo-6-[[2-(ethoxymethyl)anilino]methyl]phenol
CID 61391843
2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43750320
2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637775
2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 103720558
2-[[2-(ethoxymethyl)anilino]methyl]thiophen-3-amine
CID 66386371
2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline
CID 114269774
4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
CID 79832570

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-ethylaniline?
The IUPAC name of 2-(ethoxymethyl)-N-ethylaniline (CID 43750443) is 2-(ethoxymethyl)-N-ethylaniline.
What is the SMILES notation for 2-(ethoxymethyl)-N-ethylaniline?
The canonical SMILES for 2-(ethoxymethyl)-N-ethylaniline is CCNc1ccccc1COCC.
What is the InChIKey of 2-(ethoxymethyl)-N-ethylaniline?
The InChIKey is OFMLMHWHIZHXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-12-11-8-6-5-7-10(11)9-13-4-2/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-N-ethylaniline?
2-(ethoxymethyl)-N-ethylaniline has a molecular weight of 179.26 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-ethylaniline is sourced from PubChem (CID 43750443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).