2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine

C20H27NO3 — CID 22680716

IUPAC2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine
SMILESCCOc1cc(CCN)ccc1OCCOc1ccc(CC)cc1
InChIInChI=1S/C20H27NO3/c1-3-16-5-8-18(9-6-16)23-13-14-24-19-10-7-17(11-12-21)15-20(19)22-4-2/h5-10,15H,3-4,11-14,21H2,1-2H3
InChIKeyZZGQDEHBSINKCQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.61
Rot. Bonds10

About 2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine

2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine (PubChem CID 22680716) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine
PubChem CID22680716
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine
SMILESCCOc1cc(CCN)ccc1OCCOc1ccc(CC)cc1
InChIInChI=1S/C20H27NO3/c1-3-16-5-8-18(9-6-16)23-13-14-24-19-10-7-17(11-12-21)15-20(19)22-4-2/h5-10,15H,3-4,11-14,21H2,1-2H3
InChIKeyZZGQDEHBSINKCQ-UHFFFAOYSA-N
XLogP3.61
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.61
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

2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 20993016
2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine
CID 61481236
2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine
CID 22681578
2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22686959
2-[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20992783
2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine
CID 62311006
3-[3-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 22680504
4-(2-aminoethyl)-2-ethoxyaniline
CID 91191224
1,2-diethoxy-4-propylbenzene
CID 3995471
2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20984719
[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
CID 61483340

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine (CID 22680716) is 2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine is CCOc1cc(CCN)ccc1OCCOc1ccc(CC)cc1.
What is the InChIKey of 2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine?
The InChIKey is ZZGQDEHBSINKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-16-5-8-18(9-6-16)23-13-14-24-19-10-7-17(11-12-21)15-20(19)22-4-2/h5-10,15H,3-4,11-14,21H2,1-2H3.
What are the key properties of 2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine?
2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine has a molecular weight of 329.44 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 22680716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).