3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine

C19H33NO6 — CID 118110417

IUPAC3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine
SMILESCOCCOCCOCCOCCOCC(CN)OCc1ccccc1
InChIInChI=1S/C19H33NO6/c1-21-7-8-22-9-10-23-11-12-24-13-14-25-17-19(15-20)26-16-18-5-3-2-4-6-18/h2-6,19H,7-17,20H2,1H3
InChIKeyIJEPGQRECZEEKA-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.24
Rot. Bonds18

About 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine

3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine (PubChem CID 118110417) has the molecular formula C19H33NO6 and a molecular weight of 371.47 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine.

Molecular Properties

Compound Name3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine
PubChem CID118110417
Molecular FormulaC19H33NO6
Molecular Weight371.47 g/mol
Exact Mass371.23
IUPAC Name3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine
SMILESCOCCOCCOCCOCCOCC(CN)OCc1ccccc1
InChIInChI=1S/C19H33NO6/c1-21-7-8-22-9-10-23-11-12-24-13-14-25-17-19(15-20)26-16-18-5-3-2-4-6-18/h2-6,19H,7-17,20H2,1H3
InChIKeyIJEPGQRECZEEKA-UHFFFAOYSA-N
XLogP1.24
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene
CID 139525451
2-ethoxy-3-phenylmethoxypropan-1-amine
CID 63069675
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
(2S)-2-dodecoxy-3-phenylmethoxypropan-1-amine
CID 134231556
3-methoxy-N-methyl-2-phenylmethoxypropan-1-amine
CID 103227745
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 171766048
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
(1-ethoxy-4-methylpentan-2-yl)oxymethylbenzene
CID 155015010
[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
CID 57272060
[1-(15-fluoropentadecoxy)-4,4-dimethylpentan-2-yl]oxymethylbenzene
CID 126586651
4-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] butanedioate
CID 71416841

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine?
The IUPAC name of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine (CID 118110417) is 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine.
What is the SMILES notation for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine?
The canonical SMILES for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine is COCCOCCOCCOCCOCC(CN)OCc1ccccc1.
What is the InChIKey of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine?
The InChIKey is IJEPGQRECZEEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO6/c1-21-7-8-22-9-10-23-11-12-24-13-14-25-17-19(15-20)26-16-18-5-3-2-4-6-18/h2-6,19H,7-17,20H2,1H3.
What are the key properties of 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine?
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine has a molecular weight of 371.47 g/mol, XLogP of 1.24, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-phenylmethoxypropan-1-amine is sourced from PubChem (CID 118110417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).