3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline

C15H26N2O3 — CID 82353541

IUPAC3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCCCOCCOCCN)c1
InChIInChI=1S/C15H26N2O3/c1-17(2)14-5-3-6-15(13-14)20-9-4-8-18-11-12-19-10-7-16/h3,5-6,13H,4,7-12,16H2,1-2H3
InChIKeyUBJQEZAQCCEDMH-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.51
Rot. Bonds11

About 3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline

3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline (PubChem CID 82353541) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline
PubChem CID82353541
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OCCCOCCOCCN)c1
InChIInChI=1S/C15H26N2O3/c1-17(2)14-5-3-6-15(13-14)20-9-4-8-18-11-12-19-10-7-16/h3,5-6,13H,4,7-12,16H2,1-2H3
InChIKeyUBJQEZAQCCEDMH-UHFFFAOYSA-N
XLogP1.51
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-amino-3,3-dimethylbutoxy)-N,N-dimethylaniline
CID 65248872
3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline
CID 141496983
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350827
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline
CID 79479150
2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64809356
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
3-[[2-(aminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 22688623
N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline
CID 79403547
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline (CID 82353541) is 3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline is CN(C)c1cccc(OCCCOCCOCCN)c1.
What is the InChIKey of 3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline?
The InChIKey is UBJQEZAQCCEDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-17(2)14-5-3-6-15(13-14)20-9-4-8-18-11-12-19-10-7-16/h3,5-6,13H,4,7-12,16H2,1-2H3.
What are the key properties of 3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline?
3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline has a molecular weight of 282.38 g/mol, XLogP of 1.51, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-N,N-dimethylaniline is sourced from PubChem (CID 82353541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).