N-(2-ethoxyethyl)aniline

C10H15NO — CID 3015953

IUPACN-(2-ethoxyethyl)aniline
SMILESCCOCCNc1ccccc1
InChIInChI=1S/C10H15NO/c1-2-12-9-8-11-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyJLYJJRHBGXOWSQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.13
Rot. Bonds5

About N-(2-ethoxyethyl)aniline

N-(2-ethoxyethyl)aniline (PubChem CID 3015953) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(2-ethoxyethyl)aniline.

Molecular Properties

Compound NameN-(2-ethoxyethyl)aniline
PubChem CID3015953
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-(2-ethoxyethyl)aniline
SMILESCCOCCNc1ccccc1
InChIInChI=1S/C10H15NO/c1-2-12-9-8-11-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyJLYJJRHBGXOWSQ-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)aniline?
The IUPAC name of N-(2-ethoxyethyl)aniline (CID 3015953) is N-(2-ethoxyethyl)aniline.
What is the SMILES notation for N-(2-ethoxyethyl)aniline?
The canonical SMILES for N-(2-ethoxyethyl)aniline is CCOCCNc1ccccc1.
What is the InChIKey of N-(2-ethoxyethyl)aniline?
The InChIKey is JLYJJRHBGXOWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-12-9-8-11-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of N-(2-ethoxyethyl)aniline?
N-(2-ethoxyethyl)aniline has a molecular weight of 165.24 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)aniline is sourced from PubChem (CID 3015953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).