4-(4-ethylphenoxy)-2-methylaniline

C15H17NO — CID 26190351

IUPAC4-(4-ethylphenoxy)-2-methylaniline
SMILESCCc1ccc(Oc2ccc(N)c(C)c2)cc1
InChIInChI=1S/C15H17NO/c1-3-12-4-6-13(7-5-12)17-14-8-9-15(16)11(2)10-14/h4-10H,3,16H2,1-2H3
InChIKeyAXTAVWBCCWCPJJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.93
Rot. Bonds3

About 4-(4-ethylphenoxy)-2-methylaniline

4-(4-ethylphenoxy)-2-methylaniline (PubChem CID 26190351) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(4-ethylphenoxy)-2-methylaniline.

Molecular Properties

Compound Name4-(4-ethylphenoxy)-2-methylaniline
PubChem CID26190351
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-(4-ethylphenoxy)-2-methylaniline
SMILESCCc1ccc(Oc2ccc(N)c(C)c2)cc1
InChIInChI=1S/C15H17NO/c1-3-12-4-6-13(7-5-12)17-14-8-9-15(16)11(2)10-14/h4-10H,3,16H2,1-2H3
InChIKeyAXTAVWBCCWCPJJ-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenoxy)-2-methylaniline?
The IUPAC name of 4-(4-ethylphenoxy)-2-methylaniline (CID 26190351) is 4-(4-ethylphenoxy)-2-methylaniline.
What is the SMILES notation for 4-(4-ethylphenoxy)-2-methylaniline?
The canonical SMILES for 4-(4-ethylphenoxy)-2-methylaniline is CCc1ccc(Oc2ccc(N)c(C)c2)cc1.
What is the InChIKey of 4-(4-ethylphenoxy)-2-methylaniline?
The InChIKey is AXTAVWBCCWCPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-12-4-6-13(7-5-12)17-14-8-9-15(16)11(2)10-14/h4-10H,3,16H2,1-2H3.
What are the key properties of 4-(4-ethylphenoxy)-2-methylaniline?
4-(4-ethylphenoxy)-2-methylaniline has a molecular weight of 227.31 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenoxy)-2-methylaniline is sourced from PubChem (CID 26190351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).