2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline

C16H19NO2 — CID 39359285

IUPAC2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
SMILESCc1cc(OCCOc2ccccc2C)ccc1N
InChIInChI=1S/C16H19NO2/c1-12-5-3-4-6-16(12)19-10-9-18-14-7-8-15(17)13(2)11-14/h3-8,11H,9-10,17H2,1-2H3
InChIKeyRDQVQSRYOHHKLD-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.34
Rot. Bonds5

About 2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline

2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline (PubChem CID 39359285) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline.

Molecular Properties

Compound Name2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
PubChem CID39359285
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
SMILESCc1cc(OCCOc2ccccc2C)ccc1N
InChIInChI=1S/C16H19NO2/c1-12-5-3-4-6-16(12)19-10-9-18-14-7-8-15(17)13(2)11-14/h3-8,11H,9-10,17H2,1-2H3
InChIKeyRDQVQSRYOHHKLD-UHFFFAOYSA-N
XLogP3.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.34
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

4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
CID 146356223
4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline
CID 39452146
4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359276
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
CID 59416560
4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline
CID 39379204
2-methyl-4-(2-phenylsulfanylethoxy)aniline
CID 79211754
2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol
CID 61069192
2-methyl-4-nonoxyaniline
CID 43128997
4-(5-aminopentoxy)-2-methylaniline
CID 164576762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline?
The IUPAC name of 2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline (CID 39359285) is 2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline.
What is the SMILES notation for 2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline?
The canonical SMILES for 2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline is Cc1cc(OCCOc2ccccc2C)ccc1N.
What is the InChIKey of 2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline?
The InChIKey is RDQVQSRYOHHKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-5-3-4-6-16(12)19-10-9-18-14-7-8-15(17)13(2)11-14/h3-8,11H,9-10,17H2,1-2H3.
What are the key properties of 2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline?
2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline has a molecular weight of 257.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline is sourced from PubChem (CID 39359285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).