3,5-diethoxyaniline

C10H15NO2 — CID 22605063

IUPAC3,5-diethoxyaniline
SMILESCCOc1cc(N)cc(OCC)c1
InChIInChI=1S/C10H15NO2/c1-3-12-9-5-8(11)6-10(7-9)13-4-2/h5-7H,3-4,11H2,1-2H3
InChIKeyPJLOISRUGOULHR-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.07
Rot. Bonds4

About 3,5-diethoxyaniline

3,5-diethoxyaniline (PubChem CID 22605063) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3,5-diethoxyaniline.

Molecular Properties

Compound Name3,5-diethoxyaniline
PubChem CID22605063
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3,5-diethoxyaniline
SMILESCCOc1cc(N)cc(OCC)c1
InChIInChI=1S/C10H15NO2/c1-3-12-9-5-8(11)6-10(7-9)13-4-2/h5-7H,3-4,11H2,1-2H3
InChIKeyPJLOISRUGOULHR-UHFFFAOYSA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-5-methylaniline
CID 67863452
3-ethoxy-5-(3-methylbutan-2-yloxy)aniline
CID 80748959
3-ethoxy-5-(3,3,3-trifluoropropoxy)aniline
CID 82954400
3-(cyclohexylmethoxy)-5-ethoxyaniline
CID 80748419
5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine
CID 80722151
3-(3,4-dimethylcyclohexyl)oxy-5-ethoxyaniline
CID 80748644
3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline
CID 80748537
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
3-(2,5-dimethylphenoxy)-5-ethoxyaniline
CID 80748606
3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline
CID 80752576
3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
3-ethoxy-5-pyridin-3-yloxyaniline
CID 80748740

Frequently Asked Questions

What is the IUPAC name of 3,5-diethoxyaniline?
The IUPAC name of 3,5-diethoxyaniline (CID 22605063) is 3,5-diethoxyaniline.
What is the SMILES notation for 3,5-diethoxyaniline?
The canonical SMILES for 3,5-diethoxyaniline is CCOc1cc(N)cc(OCC)c1.
What is the InChIKey of 3,5-diethoxyaniline?
The InChIKey is PJLOISRUGOULHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-12-9-5-8(11)6-10(7-9)13-4-2/h5-7H,3-4,11H2,1-2H3.
What are the key properties of 3,5-diethoxyaniline?
3,5-diethoxyaniline has a molecular weight of 181.23 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethoxyaniline is sourced from PubChem (CID 22605063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).