2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine

C15H25NO4 — CID 71104188

IUPAC2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESCc1ccc(OCCOCCOCCOCCN)cc1
InChIInChI=1S/C15H25NO4/c1-14-2-4-15(5-3-14)20-13-12-19-11-10-18-9-8-17-7-6-16/h2-5H,6-13,16H2,1H3
InChIKeyHFGJWKCETPVLIT-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.38
Rot. Bonds12

About 2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 71104188) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID71104188
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESCc1ccc(OCCOCCOCCOCCN)cc1
InChIInChI=1S/C15H25NO4/c1-14-2-4-15(5-3-14)20-13-12-19-11-10-18-9-8-17-7-6-16/h2-5H,6-13,16H2,1H3
InChIKeyHFGJWKCETPVLIT-UHFFFAOYSA-N
XLogP1.38
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.38
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-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
CID 171705519
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate
CID 166004699
3-[4-[2-(2-aminoethoxy)ethoxy]phenyl]-6-(4-hydroxyphenyl)-4,5-dimethylbenzene-1,2-diol
CID 102054995
N-[4-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]hydroxylamine
CID 177015138
2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine
CID 28749749
ethane;2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 144965448

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine (CID 71104188) is 2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine is Cc1ccc(OCCOCCOCCOCCN)cc1.
What is the InChIKey of 2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is HFGJWKCETPVLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-14-2-4-15(5-3-14)20-13-12-19-11-10-18-9-8-17-7-6-16/h2-5H,6-13,16H2,1H3.
What are the key properties of 2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 283.37 g/mol, XLogP of 1.38, 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-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 71104188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).