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

C15H17NO2 — CID 23010232

IUPAC2-[2-(4-methylphenoxy)ethoxy]aniline
SMILESCc1ccc(OCCOc2ccccc2N)cc1
InChIInChI=1S/C15H17NO2/c1-12-6-8-13(9-7-12)17-10-11-18-15-5-3-2-4-14(15)16/h2-9H,10-11,16H2,1H3
InChIKeyARJWNPSTOUOFIN-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.04
Rot. Bonds5

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

2-[2-(4-methylphenoxy)ethoxy]aniline (PubChem CID 23010232) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[2-(4-methylphenoxy)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(4-methylphenoxy)ethoxy]aniline
PubChem CID23010232
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-[2-(4-methylphenoxy)ethoxy]aniline
SMILESCc1ccc(OCCOc2ccccc2N)cc1
InChIInChI=1S/C15H17NO2/c1-12-6-8-13(9-7-12)17-10-11-18-15-5-3-2-4-14(15)16/h2-9H,10-11,16H2,1H3
InChIKeyARJWNPSTOUOFIN-UHFFFAOYSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.04
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-methyl-3-[3-(4-methylphenoxy)propoxy]aniline
CID 82097227
2-[10-(4-aminophenoxy)decoxy]aniline
CID 146356244
2-[2-(4-methylphenoxy)ethoxy]benzenecarbothioamide
CID 20990101
5-methyl-2-(3-phenoxypropoxy)aniline
CID 62056343
2-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685251
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2-[2-(N,4-dimethylanilino)ethoxy]aniline
CID 55134719
4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
CID 146356223
4-methylaniline;2-tetradecoxyaniline
CID 158200068
4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359276
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359285

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenoxy)ethoxy]aniline?
The IUPAC name of 2-[2-(4-methylphenoxy)ethoxy]aniline (CID 23010232) is 2-[2-(4-methylphenoxy)ethoxy]aniline.
What is the SMILES notation for 2-[2-(4-methylphenoxy)ethoxy]aniline?
The canonical SMILES for 2-[2-(4-methylphenoxy)ethoxy]aniline is Cc1ccc(OCCOc2ccccc2N)cc1.
What is the InChIKey of 2-[2-(4-methylphenoxy)ethoxy]aniline?
The InChIKey is ARJWNPSTOUOFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-12-6-8-13(9-7-12)17-10-11-18-15-5-3-2-4-14(15)16/h2-9H,10-11,16H2,1H3.
What are the key properties of 2-[2-(4-methylphenoxy)ethoxy]aniline?
2-[2-(4-methylphenoxy)ethoxy]aniline has a molecular weight of 243.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenoxy)ethoxy]aniline is sourced from PubChem (CID 23010232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).