3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline

C16H18INO2 — CID 141496983

IUPAC3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCCOc2ccc(I)cc2)c1
InChIInChI=1S/C16H18INO2/c1-18(2)14-4-3-5-16(12-14)20-11-10-19-15-8-6-13(17)7-9-15/h3-9,12H,10-11H2,1-2H3
InChIKeyXARSQZSLMFZZDX-UHFFFAOYSA-N
MW383.23 g/mol
LogP3.82
Rot. Bonds6

About 3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline

3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline (PubChem CID 141496983) has the molecular formula C16H18INO2 and a molecular weight of 383.23 g/mol. Its IUPAC name is 3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline
PubChem CID141496983
Molecular FormulaC16H18INO2
Molecular Weight383.23 g/mol
Exact Mass383.04
IUPAC Name3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCCOc2ccc(I)cc2)c1
InChIInChI=1S/C16H18INO2/c1-18(2)14-4-3-5-16(12-14)20-11-10-19-15-8-6-13(17)7-9-15/h3-9,12H,10-11H2,1-2H3
InChIKeyXARSQZSLMFZZDX-UHFFFAOYSA-N
XLogP3.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline
CID 79403547
3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline
CID 82353541
3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline
CID 65248872
2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64809356
1-iodo-4-(3-phenoxypropoxy)benzene
CID 60665273
3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid
CID 82224178
N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline
CID 62485229
N-[2-[3-(dimethylamino)phenoxy]ethyl]-2-methylaniline
CID 62584415
3-N,3-N-dimethyl-1-N-(2-phenoxyethyl)benzene-1,3-diamine
CID 115377712
CID 71254525
CID 71254525

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline (CID 141496983) is 3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline is CN(C)c1cccc(OCCOc2ccc(I)cc2)c1.
What is the InChIKey of 3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline?
The InChIKey is XARSQZSLMFZZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INO2/c1-18(2)14-4-3-5-16(12-14)20-11-10-19-15-8-6-13(17)7-9-15/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline?
3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline has a molecular weight of 383.23 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline is sourced from PubChem (CID 141496983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).