2-[2-(2,3-dimethylphenoxy)ethyl]aniline

C16H19NO — CID 55079573

IUPAC2-[2-(2,3-dimethylphenoxy)ethyl]aniline
SMILESCc1cccc(OCCc2ccccc2N)c1C
InChIInChI=1S/C16H19NO/c1-12-6-5-9-16(13(12)2)18-11-10-14-7-3-4-8-15(14)17/h3-9H,10-11,17H2,1-2H3
InChIKeyXDWGEJJYLSTLSE-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.51
Rot. Bonds4

About 2-[2-(2,3-dimethylphenoxy)ethyl]aniline

2-[2-(2,3-dimethylphenoxy)ethyl]aniline (PubChem CID 55079573) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[2-(2,3-dimethylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(2,3-dimethylphenoxy)ethyl]aniline
PubChem CID55079573
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-[2-(2,3-dimethylphenoxy)ethyl]aniline
SMILESCc1cccc(OCCc2ccccc2N)c1C
InChIInChI=1S/C16H19NO/c1-12-6-5-9-16(13(12)2)18-11-10-14-7-3-4-8-15(14)17/h3-9H,10-11,17H2,1-2H3
InChIKeyXDWGEJJYLSTLSE-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.51
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-(2-methylsulfanylphenoxy)ethyl]aniline
CID 63649319
2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371046
2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine
CID 115464752
2-[(2-methylphenoxy)methyl]aniline
CID 21191823
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
1-[2-(2,3-dimethylphenoxy)ethyl]-1-methylhydrazine
CID 82281839
5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline
CID 39399760
1-(3-bromopropoxy)-2,3-dimethylbenzene
CID 6483771
N-[2-[2-(2-aminophenyl)ethoxy]phenyl]acetamide
CID 62496426
3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
CID 146356261
2-[6-(3-amino-2-methylphenoxy)hexoxy]-6-methylaniline
CID 146356235
3-(2,3-dimethylphenoxy)propanethioamide
CID 7745565

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethylphenoxy)ethyl]aniline?
The IUPAC name of 2-[2-(2,3-dimethylphenoxy)ethyl]aniline (CID 55079573) is 2-[2-(2,3-dimethylphenoxy)ethyl]aniline.
What is the SMILES notation for 2-[2-(2,3-dimethylphenoxy)ethyl]aniline?
The canonical SMILES for 2-[2-(2,3-dimethylphenoxy)ethyl]aniline is Cc1cccc(OCCc2ccccc2N)c1C.
What is the InChIKey of 2-[2-(2,3-dimethylphenoxy)ethyl]aniline?
The InChIKey is XDWGEJJYLSTLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-6-5-9-16(13(12)2)18-11-10-14-7-3-4-8-15(14)17/h3-9H,10-11,17H2,1-2H3.
What are the key properties of 2-[2-(2,3-dimethylphenoxy)ethyl]aniline?
2-[2-(2,3-dimethylphenoxy)ethyl]aniline has a molecular weight of 241.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethylphenoxy)ethyl]aniline is sourced from PubChem (CID 55079573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).