5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline

C18H23NO2 — CID 39387000

IUPAC5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
SMILESCc1ccc(OCCOc2cc(C)c(C)cc2C)c(N)c1
InChIInChI=1S/C18H23NO2/c1-12-5-6-17(16(19)9-12)20-7-8-21-18-11-14(3)13(2)10-15(18)4/h5-6,9-11H,7-8,19H2,1-4H3
InChIKeyJQENWCVYCAXSDW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.96
Rot. Bonds5

About 5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline

5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline (PubChem CID 39387000) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline.

Molecular Properties

Compound Name5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
PubChem CID39387000
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
SMILESCc1ccc(OCCOc2cc(C)c(C)cc2C)c(N)c1
InChIInChI=1S/C18H23NO2/c1-12-5-6-17(16(19)9-12)20-7-8-21-18-11-14(3)13(2)10-15(18)4/h5-6,9-11H,7-8,19H2,1-4H3
InChIKeyJQENWCVYCAXSDW-UHFFFAOYSA-N
XLogP3.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline
CID 42643574
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371046
6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline
CID 42646928
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39438979
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline
CID 39427298
2-[2-(2,5-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452114
5-methyl-2-(3-phenoxypropoxy)aniline
CID 62056343
4-(2-amino-4-methylphenoxy)-2,2-dimethylbutanenitrile
CID 65249994
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452116

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline?
The IUPAC name of 5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline (CID 39387000) is 5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline.
What is the SMILES notation for 5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline?
The canonical SMILES for 5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline is Cc1ccc(OCCOc2cc(C)c(C)cc2C)c(N)c1.
What is the InChIKey of 5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline?
The InChIKey is JQENWCVYCAXSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-5-6-17(16(19)9-12)20-7-8-21-18-11-14(3)13(2)10-15(18)4/h5-6,9-11H,7-8,19H2,1-4H3.
What are the key properties of 5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline?
5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline has a molecular weight of 285.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline is sourced from PubChem (CID 39387000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).