2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine

C16H27NO4 — CID 139363224

IUPAC2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCCOCc1ccccc1
InChIInChI=1S/C16H27NO4/c17-7-10-19-12-14-20-13-11-18-8-4-9-21-15-16-5-2-1-3-6-16/h1-3,5-6H,4,7-15,17H2
InChIKeyCDZISJAHSVFOFB-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.60
Rot. Bonds14

About 2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine

2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine (PubChem CID 139363224) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
PubChem CID139363224
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCCOCc1ccccc1
InChIInChI=1S/C16H27NO4/c17-7-10-19-12-14-20-13-11-18-8-4-9-21-15-16-5-2-1-3-6-16/h1-3,5-6H,4,7-15,17H2
InChIKeyCDZISJAHSVFOFB-UHFFFAOYSA-N
XLogP1.60
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.60
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

ethane;2-phenylmethoxyethanamine
CID 142016503
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
2-[[phenoxy(3-phenylmethoxypropoxy)phosphanyl]methoxy]ethanamine
CID 135174025
2-oxo-2-(3-phenylmethoxypropoxy)acetic acid
CID 90995825
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(3-phenylmethoxypropoxy)ethyl N-tert-butylcarbamate
CID 91455636
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine (CID 139363224) is 2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine is NCCOCCOCCOCCCOCc1ccccc1.
What is the InChIKey of 2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine?
The InChIKey is CDZISJAHSVFOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c17-7-10-19-12-14-20-13-11-18-8-4-9-21-15-16-5-2-1-3-6-16/h1-3,5-6H,4,7-15,17H2.
What are the key properties of 2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine?
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine has a molecular weight of 297.39 g/mol, XLogP of 1.60, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 139363224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).