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

C19H25NO3 — CID 20993016

IUPAC2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
SMILESCCOc1cc(CCN)ccc1OCCOc1ccccc1C
InChIInChI=1S/C19H25NO3/c1-3-21-19-14-16(10-11-20)8-9-18(19)23-13-12-22-17-7-5-4-6-15(17)2/h4-9,14H,3,10-13,20H2,1-2H3
InChIKeyVYKLCOASZTTZRE-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.35
Rot. Bonds9

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

2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine (PubChem CID 20993016) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
PubChem CID20993016
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
SMILESCCOc1cc(CCN)ccc1OCCOc1ccccc1C
InChIInChI=1S/C19H25NO3/c1-3-21-19-14-16(10-11-20)8-9-18(19)23-13-12-22-17-7-5-4-6-15(17)2/h4-9,14H,3,10-13,20H2,1-2H3
InChIKeyVYKLCOASZTTZRE-UHFFFAOYSA-N
XLogP3.35
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.35
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-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine
CID 22681578
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine
CID 22680716
2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine
CID 61481236
[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
CID 22681699
2-[4-(2-ethoxyphenoxy)-3-fluorophenyl]ethanamine
CID 63817515
3-[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]propanoic acid
CID 20985123
2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 22680049
2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine
CID 62311006
4-(2-aminoethyl)-2-ethoxyaniline
CID 91191224
1,2-diethoxy-4-propylbenzene
CID 3995471
2-[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20992783

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine (CID 20993016) is 2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine is CCOc1cc(CCN)ccc1OCCOc1ccccc1C.
What is the InChIKey of 2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine?
The InChIKey is VYKLCOASZTTZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-21-19-14-16(10-11-20)8-9-18(19)23-13-12-22-17-7-5-4-6-15(17)2/h4-9,14H,3,10-13,20H2,1-2H3.
What are the key properties of 2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine?
2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine has a molecular weight of 315.41 g/mol, XLogP of 3.35, 9 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-(2-methylphenoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 20993016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).