4-(1-ethoxyethyl)aniline

C10H15NO — CID 61264072

IUPAC4-(1-ethoxyethyl)aniline
SMILESCCOC(C)c1ccc(N)cc1
InChIInChI=1S/C10H15NO/c1-3-12-8(2)9-4-6-10(11)7-5-9/h4-8H,3,11H2,1-2H3
InChIKeyXJRAWPJGBAMWRM-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.37
Rot. Bonds3

About 4-(1-ethoxyethyl)aniline

4-(1-ethoxyethyl)aniline (PubChem CID 61264072) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(1-ethoxyethyl)aniline.

Molecular Properties

Compound Name4-(1-ethoxyethyl)aniline
PubChem CID61264072
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-(1-ethoxyethyl)aniline
SMILESCCOC(C)c1ccc(N)cc1
InChIInChI=1S/C10H15NO/c1-3-12-8(2)9-4-6-10(11)7-5-9/h4-8H,3,11H2,1-2H3
InChIKeyXJRAWPJGBAMWRM-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethyl)aniline?
The IUPAC name of 4-(1-ethoxyethyl)aniline (CID 61264072) is 4-(1-ethoxyethyl)aniline.
What is the SMILES notation for 4-(1-ethoxyethyl)aniline?
The canonical SMILES for 4-(1-ethoxyethyl)aniline is CCOC(C)c1ccc(N)cc1.
What is the InChIKey of 4-(1-ethoxyethyl)aniline?
The InChIKey is XJRAWPJGBAMWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-12-8(2)9-4-6-10(11)7-5-9/h4-8H,3,11H2,1-2H3.
What are the key properties of 4-(1-ethoxyethyl)aniline?
4-(1-ethoxyethyl)aniline has a molecular weight of 165.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethyl)aniline is sourced from PubChem (CID 61264072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).