N-ethoxyaniline

C8H11NO — CID 11332504

IUPACN-ethoxyaniline
SMILESCCONc1ccccc1
InChIInChI=1S/C8H11NO/c1-2-10-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyDJUWKQYCYKRJNI-UHFFFAOYSA-N
MW137.18 g/mol
LogP2.05
Rot. Bonds3

About N-ethoxyaniline

N-ethoxyaniline (PubChem CID 11332504) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-ethoxyaniline.

Molecular Properties

Compound NameN-ethoxyaniline
PubChem CID11332504
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-ethoxyaniline
SMILESCCONc1ccccc1
InChIInChI=1S/C8H11NO/c1-2-10-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyDJUWKQYCYKRJNI-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Aniline
CID 6115
N-Phenylhydroxylamine
CID 7518
Benzenamine hydrochloride (1:1)
CID 8870
p-Aminophenylmercuric acetate
CID 16682983
Benzenamine, hydrobromide (1:1)
CID 68330
Phosphoramidic acid, phenyl-, diethyl ester
CID 15049
Aniline-d5
CID 123211
Methanimidic acid, N-phenyl-, ethyl ester
CID 111236
O,O-Diethyl N-phenylphosphoramidothioate
CID 199100
Benzenamine, 4-fluoro-N-hydroxy-
CID 164595
(2H7)Aniline
CID 2733418
Aniline-15N
CID 11137093

Frequently Asked Questions

What is the IUPAC name of N-ethoxyaniline?
The IUPAC name of N-ethoxyaniline (CID 11332504) is N-ethoxyaniline.
What is the SMILES notation for N-ethoxyaniline?
The canonical SMILES for N-ethoxyaniline is CCONc1ccccc1.
What is the InChIKey of N-ethoxyaniline?
The InChIKey is DJUWKQYCYKRJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-10-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3.
What are the key properties of N-ethoxyaniline?
N-ethoxyaniline has a molecular weight of 137.18 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxyaniline is sourced from PubChem (CID 11332504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).