3-ethoxyaniline

C8H11NO — CID 12120

IUPAC3-ethoxyaniline
SMILESCCOc1cccc(N)c1
InChIInChI=1S/C8H11NO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3
InChIKeyWEZAHYDFZNTGKE-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.67
Rot. Bonds2

About 3-ethoxyaniline

3-ethoxyaniline (PubChem CID 12120) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-ethoxyaniline.

Molecular Properties

Compound Name3-ethoxyaniline
PubChem CID12120
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-ethoxyaniline
SMILESCCOc1cccc(N)c1
InChIInChI=1S/C8H11NO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3
InChIKeyWEZAHYDFZNTGKE-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-Methoxyaniline
CID 7000
4-Hexyloxyaniline
CID 38360
o-Phenetidine
CID 7203
4-Anisidine hydrochloride
CID 2734956
3,4-Dimethoxyaniline
CID 22770
Benzenamine, 2-phenoxy-
CID 75899
2,5-Dimethoxyaniline
CID 7613

Frequently Asked Questions

What is the IUPAC name of 3-ethoxyaniline?
The IUPAC name of 3-ethoxyaniline (CID 12120) is 3-ethoxyaniline.
What is the SMILES notation for 3-ethoxyaniline?
The canonical SMILES for 3-ethoxyaniline is CCOc1cccc(N)c1.
What is the InChIKey of 3-ethoxyaniline?
The InChIKey is WEZAHYDFZNTGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3.
What are the key properties of 3-ethoxyaniline?
3-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 3-ethoxyaniline is sourced from PubChem (CID 12120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).