2-ethoxyaniline;propan-2-one

C11H17NO2 — CID 517004

IUPAC2-ethoxyaniline;propan-2-one
SMILESCC(C)=O.CCOc1ccccc1N
InChIInChI=1S/C8H11NO.C3H6O/c1-2-10-8-6-4-3-5-7(8)9;1-3(2)4/h3-6H,2,9H2,1H3;1-2H3
InChIKeyWRNMZLSLAABCMS-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.26
Rot. Bonds2

About 2-ethoxyaniline;propan-2-one

2-ethoxyaniline;propan-2-one (PubChem CID 517004) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-ethoxyaniline;propan-2-one.

Molecular Properties

Compound Name2-ethoxyaniline;propan-2-one
PubChem CID517004
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-ethoxyaniline;propan-2-one
SMILESCC(C)=O.CCOc1ccccc1N
InChIInChI=1S/C8H11NO.C3H6O/c1-2-10-8-6-4-3-5-7(8)9;1-3(2)4/h3-6H,2,9H2,1H3;1-2H3
InChIKeyWRNMZLSLAABCMS-UHFFFAOYSA-N
XLogP2.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.26
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

2-ethoxyaniline;molecular hydrogen
CID 144877970
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
3-(2-aminophenoxy)propanamide
CID 39869131
2,5-dichloroaniline;2-ethoxyaniline
CID 19102396
(2-aminophenoxy)methanol
CID 22976615
ethyl 2-[2-(2-aminophenoxy)ethylsulfonyl]acetate
CID 43618414
3-(2-aminophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 113425868
ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate
CID 60812238
methyl 2-(2-amino-6-ethoxyphenyl)acetate
CID 84676806
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)acetamide
CID 65037879
3-(2-amino-6-ethoxyphenyl)propanoic acid
CID 84676808

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyaniline;propan-2-one?
The IUPAC name of 2-ethoxyaniline;propan-2-one (CID 517004) is 2-ethoxyaniline;propan-2-one.
What is the SMILES notation for 2-ethoxyaniline;propan-2-one?
The canonical SMILES for 2-ethoxyaniline;propan-2-one is CC(C)=O.CCOc1ccccc1N.
What is the InChIKey of 2-ethoxyaniline;propan-2-one?
The InChIKey is WRNMZLSLAABCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C3H6O/c1-2-10-8-6-4-3-5-7(8)9;1-3(2)4/h3-6H,2,9H2,1H3;1-2H3.
What are the key properties of 2-ethoxyaniline;propan-2-one?
2-ethoxyaniline;propan-2-one has a molecular weight of 195.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyaniline;propan-2-one is sourced from PubChem (CID 517004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).