2-(2,5-dimethylphenoxy)-3-methylaniline

C15H17NO — CID 115550838

IUPAC2-(2,5-dimethylphenoxy)-3-methylaniline
SMILESCc1ccc(C)c(Oc2c(C)cccc2N)c1
InChIInChI=1S/C15H17NO/c1-10-7-8-11(2)14(9-10)17-15-12(3)5-4-6-13(15)16/h4-9H,16H2,1-3H3
InChIKeyJVCYAGZPNKNMJT-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.99
Rot. Bonds2

About 2-(2,5-dimethylphenoxy)-3-methylaniline

2-(2,5-dimethylphenoxy)-3-methylaniline (PubChem CID 115550838) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-3-methylaniline.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-3-methylaniline
PubChem CID115550838
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(2,5-dimethylphenoxy)-3-methylaniline
SMILESCc1ccc(C)c(Oc2c(C)cccc2N)c1
InChIInChI=1S/C15H17NO/c1-10-7-8-11(2)14(9-10)17-15-12(3)5-4-6-13(15)16/h4-9H,16H2,1-3H3
InChIKeyJVCYAGZPNKNMJT-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.99
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

[2-(2,5-dimethylphenoxy)-3-methylphenyl]methanamine
CID 107105904
3-methyl-2-(2,4,5-trichlorophenoxy)aniline
CID 113333818
2-(2-methoxyphenoxy)-3-methylaniline
CID 115550846
2-(4-fluoro-2-methylphenoxy)-3-methylaniline
CID 68879061
1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
CID 19792455
2-(2-bromophenoxy)-3-methylaniline
CID 115550883
2-(2,5-difluorophenoxy)-3-methylaniline
CID 115550961
2-(2,5-dimethylphenoxy)-6-fluoroaniline
CID 54920394
3-methyl-2-(2-propoxyphenoxy)aniline
CID 115550861
2-(3-iodophenoxy)-3-methylaniline
CID 115550908
4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359276
2-(3-fluorophenoxy)-3-methylaniline
CID 115550847

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-3-methylaniline?
The IUPAC name of 2-(2,5-dimethylphenoxy)-3-methylaniline (CID 115550838) is 2-(2,5-dimethylphenoxy)-3-methylaniline.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-3-methylaniline?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-3-methylaniline is Cc1ccc(C)c(Oc2c(C)cccc2N)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-3-methylaniline?
The InChIKey is JVCYAGZPNKNMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-7-8-11(2)14(9-10)17-15-12(3)5-4-6-13(15)16/h4-9H,16H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-3-methylaniline?
2-(2,5-dimethylphenoxy)-3-methylaniline has a molecular weight of 227.31 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-3-methylaniline is sourced from PubChem (CID 115550838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).