4-(2-ethoxyethoxy)-N-ethylaniline

C12H19NO2 — CID 54801151

IUPAC4-(2-ethoxyethoxy)-N-ethylaniline
SMILESCCNc1ccc(OCCOCC)cc1
InChIInChI=1S/C12H19NO2/c1-3-13-11-5-7-12(8-6-11)15-10-9-14-4-2/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyQSXKYPPEJLXIOV-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.53
Rot. Bonds7

About 4-(2-ethoxyethoxy)-N-ethylaniline

4-(2-ethoxyethoxy)-N-ethylaniline (PubChem CID 54801151) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-ethylaniline.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-ethylaniline
PubChem CID54801151
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-(2-ethoxyethoxy)-N-ethylaniline
SMILESCCNc1ccc(OCCOCC)cc1
InChIInChI=1S/C12H19NO2/c1-3-13-11-5-7-12(8-6-11)15-10-9-14-4-2/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyQSXKYPPEJLXIOV-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-butoxyphenyl)methyl]-4-(2-ethoxyethoxy)aniline
CID 54801022
2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide
CID 54825412
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
CID 54301804
4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline
CID 54801101
4-ethoxy-N-(3-ethoxypropyl)aniline
CID 65176310
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide
CID 100691237
4-(2-ethoxyethoxy)aniline
CID 16641299
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54837207
N-(2,6-dimethylphenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825290

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N-ethylaniline?
The IUPAC name of 4-(2-ethoxyethoxy)-N-ethylaniline (CID 54801151) is 4-(2-ethoxyethoxy)-N-ethylaniline.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-ethylaniline?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-ethylaniline is CCNc1ccc(OCCOCC)cc1.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-ethylaniline?
The InChIKey is QSXKYPPEJLXIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-13-11-5-7-12(8-6-11)15-10-9-14-4-2/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of 4-(2-ethoxyethoxy)-N-ethylaniline?
4-(2-ethoxyethoxy)-N-ethylaniline has a molecular weight of 209.29 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-ethylaniline is sourced from PubChem (CID 54801151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).