2-ethoxyaniline

C8H11NO — CID 7203

IUPAC2-ethoxyaniline
SMILESCCOc1ccccc1N
InChIInChI=1S/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3
InChIKeyULHFFAFDSSHFDA-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.67
Rot. Bonds2

About 2-ethoxyaniline

2-ethoxyaniline (PubChem CID 7203) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-ethoxyaniline.

Molecular Properties

Compound Name2-ethoxyaniline
PubChem CID7203
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-ethoxyaniline
SMILESCCOc1ccccc1N
InChIInChI=1S/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3
InChIKeyULHFFAFDSSHFDA-UHFFFAOYSA-N
XLogP1.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

P-Anisidine
CID 7732
4-Ethoxyaniline
CID 9076
3-Methoxyaniline
CID 10824
4,4'-Diaminodiphenyl Ether
CID 7579
2,5-Diaminoanisole
CID 21379
2-Methoxy-5-Methylaniline
CID 8445
2-Methoxyaniline
CID 7000
2,4-Diaminoanisole
CID 11976
4-Hexyloxyaniline
CID 38360
3-Ethoxyaniline
CID 12120
2,4-Dimethoxyaniline
CID 17652
4-Anisidine hydrochloride
CID 2734956

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyaniline?
The IUPAC name of 2-ethoxyaniline (CID 7203) is 2-ethoxyaniline.
What is the SMILES notation for 2-ethoxyaniline?
The canonical SMILES for 2-ethoxyaniline is CCOc1ccccc1N.
What is the InChIKey of 2-ethoxyaniline?
The InChIKey is ULHFFAFDSSHFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3.
What are the key properties of 2-ethoxyaniline?
2-ethoxyaniline has a molecular weight of 137.18 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyaniline is sourced from PubChem (CID 7203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).