2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline

C17H21NO2 — CID 39371046

IUPAC2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
SMILESCc1ccc(OCCOc2cccc(C)c2C)c(N)c1
InChIInChI=1S/C17H21NO2/c1-12-7-8-17(15(18)11-12)20-10-9-19-16-6-4-5-13(2)14(16)3/h4-8,11H,9-10,18H2,1-3H3
InChIKeyLUTJWSDQCLIEFI-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.65
Rot. Bonds5

About 2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline

2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline (PubChem CID 39371046) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
PubChem CID39371046
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
SMILESCc1ccc(OCCOc2cccc(C)c2C)c(N)c1
InChIInChI=1S/C17H21NO2/c1-12-7-8-17(15(18)11-12)20-10-9-19-16-6-4-5-13(2)14(16)3/h4-8,11H,9-10,18H2,1-3H3
InChIKeyLUTJWSDQCLIEFI-UHFFFAOYSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.65
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

5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline
CID 39399760
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452116
5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
CID 39387000
3-[4-(2,4-dimethylphenoxy)butoxy]-2-methylaniline
CID 82097265
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline
CID 42643574
6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline
CID 42646928
2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline
CID 39361246
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359276
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39438979
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline?
The IUPAC name of 2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline (CID 39371046) is 2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline.
What is the SMILES notation for 2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline?
The canonical SMILES for 2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline is Cc1ccc(OCCOc2cccc(C)c2C)c(N)c1.
What is the InChIKey of 2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline?
The InChIKey is LUTJWSDQCLIEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-7-8-17(15(18)11-12)20-10-9-19-16-6-4-5-13(2)14(16)3/h4-8,11H,9-10,18H2,1-3H3.
What are the key properties of 2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline?
2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline has a molecular weight of 271.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline is sourced from PubChem (CID 39371046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).