3-ethoxy-5-methylaniline

C9H13NO — CID 67863452

IUPAC3-ethoxy-5-methylaniline
SMILESCCOc1cc(C)cc(N)c1
InChIInChI=1S/C9H13NO/c1-3-11-9-5-7(2)4-8(10)6-9/h4-6H,3,10H2,1-2H3
InChIKeyXZJFTUZJUUAYSV-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.98
Rot. Bonds2

About 3-ethoxy-5-methylaniline

3-ethoxy-5-methylaniline (PubChem CID 67863452) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-ethoxy-5-methylaniline.

Molecular Properties

Compound Name3-ethoxy-5-methylaniline
PubChem CID67863452
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-ethoxy-5-methylaniline
SMILESCCOc1cc(C)cc(N)c1
InChIInChI=1S/C9H13NO/c1-3-11-9-5-7(2)4-8(10)6-9/h4-6H,3,10H2,1-2H3
InChIKeyXZJFTUZJUUAYSV-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.98
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

3,5-diethoxyaniline
CID 22605063
3-butoxy-5-methylaniline
CID 112648427
3-(methoxymethoxy)-5-methylaniline
CID 143853876
3-methyl-5-prop-2-ynoxyaniline
CID 123389382
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
3-(2,5-dimethylphenoxy)-5-ethoxyaniline
CID 80748606
3-(cyclohexylmethoxy)-5-methylaniline
CID 112648470
3-(3-methoxy-3-methylbutoxy)-5-methylaniline
CID 106664947
4-(3,5-dimethylphenoxy)-2-ethoxyaniline
CID 63676933
3-ethoxy-5-(3-methylbutan-2-yloxy)aniline
CID 80748959
5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine
CID 80722151
3-(3,5-dichlorophenoxy)-5-methylaniline
CID 112648434

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-methylaniline?
The IUPAC name of 3-ethoxy-5-methylaniline (CID 67863452) is 3-ethoxy-5-methylaniline.
What is the SMILES notation for 3-ethoxy-5-methylaniline?
The canonical SMILES for 3-ethoxy-5-methylaniline is CCOc1cc(C)cc(N)c1.
What is the InChIKey of 3-ethoxy-5-methylaniline?
The InChIKey is XZJFTUZJUUAYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-11-9-5-7(2)4-8(10)6-9/h4-6H,3,10H2,1-2H3.
What are the key properties of 3-ethoxy-5-methylaniline?
3-ethoxy-5-methylaniline has a molecular weight of 151.21 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-methylaniline is sourced from PubChem (CID 67863452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).