2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine

C16H27NO3 — CID 82353535

IUPAC2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
SMILESCC(C)c1ccccc1OCCCOCCOCCN
InChIInChI=1S/C16H27NO3/c1-14(2)15-6-3-4-7-16(15)20-10-5-9-18-12-13-19-11-8-17/h3-4,6-7,14H,5,8-13,17H2,1-2H3
InChIKeyJGDYMUGGBMTBQJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.57
Rot. Bonds11

About 2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine

2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine (PubChem CID 82353535) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
PubChem CID82353535
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
SMILESCC(C)c1ccccc1OCCCOCCOCCN
InChIInChI=1S/C16H27NO3/c1-14(2)15-6-3-4-7-16(15)20-10-5-9-18-12-13-19-11-8-17/h3-4,6-7,14H,5,8-13,17H2,1-2H3
InChIKeyJGDYMUGGBMTBQJ-UHFFFAOYSA-N
XLogP2.57
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-propan-2-ylphenoxy)propoxy]butan-2-amine
CID 82353725
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264
2-[4-(2-methylphenoxy)butoxy]ethanamine
CID 82352615
1-octoxy-2-propan-2-ylbenzene
CID 64765685
(1R)-1-[2-(3-ethoxypropoxy)phenyl]ethanamine
CID 79004773
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
2-(3-naphthalen-1-yloxypropoxy)ethanamine
CID 82353335
4-methyl-1-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 40573611
1-(2-methoxyethoxymethoxy)-2-propan-2-ylbenzene
CID 57457861
N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide
CID 24689545
[4-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 20989440

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine (CID 82353535) is 2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine is CC(C)c1ccccc1OCCCOCCOCCN.
What is the InChIKey of 2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine?
The InChIKey is JGDYMUGGBMTBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-14(2)15-6-3-4-7-16(15)20-10-5-9-18-12-13-19-11-8-17/h3-4,6-7,14H,5,8-13,17H2,1-2H3.
What are the key properties of 2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine?
2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 2.57, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine is sourced from PubChem (CID 82353535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).