2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine

C16H27NO4 — CID 104560552

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine
SMILESCOCCOCCOCCOCC(N)c1ccc(C)cc1
InChIInChI=1S/C16H27NO4/c1-14-3-5-15(6-4-14)16(17)13-21-12-11-20-10-9-19-8-7-18-2/h3-6,16H,7-13,17H2,1-2H3
InChIKeyCKVSNBQRIPKQQA-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.69
Rot. Bonds12

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine (PubChem CID 104560552) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine
PubChem CID104560552
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine
SMILESCOCCOCCOCCOCC(N)c1ccc(C)cc1
InChIInChI=1S/C16H27NO4/c1-14-3-5-15(6-4-14)16(17)13-21-12-11-20-10-9-19-8-7-18-2/h3-6,16H,7-13,17H2,1-2H3
InChIKeyCKVSNBQRIPKQQA-UHFFFAOYSA-N
XLogP1.69
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.69
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

1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43183735
1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43184533
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560709
(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
2-(2-methoxyethylsulfanyl)-1-(4-methylphenyl)ethanamine
CID 64609924
1-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethanamine
CID 54936821
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethoxy)ethanamine
CID 43183932
2-(2-methoxyphenoxy)-1-(4-methylphenyl)ethanamine
CID 16783711
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
1-[2-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzene
CID 114775095
3-ethoxy-1-(4-methylphenyl)propan-1-amine
CID 115601658

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine (CID 104560552) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine is COCCOCCOCCOCC(N)c1ccc(C)cc1.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine?
The InChIKey is CKVSNBQRIPKQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-14-3-5-15(6-4-14)16(17)13-21-12-11-20-10-9-19-8-7-18-2/h3-6,16H,7-13,17H2,1-2H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine has a molecular weight of 297.40 g/mol, XLogP of 1.69, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 104560552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).