3-(2-ethylphenoxy)-5-methylaniline

C15H17NO — CID 112648419

IUPAC3-(2-ethylphenoxy)-5-methylaniline
SMILESCCc1ccccc1Oc1cc(C)cc(N)c1
InChIInChI=1S/C15H17NO/c1-3-12-6-4-5-7-15(12)17-14-9-11(2)8-13(16)10-14/h4-10H,3,16H2,1-2H3
InChIKeyRVJHUBMYBRKGLY-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.93
Rot. Bonds3

About 3-(2-ethylphenoxy)-5-methylaniline

3-(2-ethylphenoxy)-5-methylaniline (PubChem CID 112648419) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(2-ethylphenoxy)-5-methylaniline.

Molecular Properties

Compound Name3-(2-ethylphenoxy)-5-methylaniline
PubChem CID112648419
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-(2-ethylphenoxy)-5-methylaniline
SMILESCCc1ccccc1Oc1cc(C)cc(N)c1
InChIInChI=1S/C15H17NO/c1-3-12-6-4-5-7-15(12)17-14-9-11(2)8-13(16)10-14/h4-10H,3,16H2,1-2H3
InChIKeyRVJHUBMYBRKGLY-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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Related Compounds

3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
3-(2-ethylphenoxy)-5-(trifluoromethyl)aniline
CID 82995697
3-(2-ethylphenoxy)-5-nitroaniline
CID 80875741
1-[2-(3,5-dimethylphenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889352
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800
1-chloro-4-(2-ethylphenoxy)benzene
CID 59800197
2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol
CID 107712095
3-(2-chloro-4-fluorophenoxy)-5-methylaniline
CID 112648439
3-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 112648486
3-(2-ethoxyphenoxy)-5-methoxyaniline
CID 80748914
3-(4-chloro-2-methylphenoxy)-5-methylaniline
CID 112648317
3-ethoxy-5-methylaniline
CID 67863452

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenoxy)-5-methylaniline?
The IUPAC name of 3-(2-ethylphenoxy)-5-methylaniline (CID 112648419) is 3-(2-ethylphenoxy)-5-methylaniline.
What is the SMILES notation for 3-(2-ethylphenoxy)-5-methylaniline?
The canonical SMILES for 3-(2-ethylphenoxy)-5-methylaniline is CCc1ccccc1Oc1cc(C)cc(N)c1.
What is the InChIKey of 3-(2-ethylphenoxy)-5-methylaniline?
The InChIKey is RVJHUBMYBRKGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-12-6-4-5-7-15(12)17-14-9-11(2)8-13(16)10-14/h4-10H,3,16H2,1-2H3.
What are the key properties of 3-(2-ethylphenoxy)-5-methylaniline?
3-(2-ethylphenoxy)-5-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 3-(2-ethylphenoxy)-5-methylaniline is sourced from PubChem (CID 112648419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).