2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine

C20H27NO3 — CID 22681578

IUPAC2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine
SMILESCCOc1cc(CCN)ccc1OCCOc1cc(C)ccc1C
InChIInChI=1S/C20H27NO3/c1-4-22-20-14-17(9-10-21)7-8-18(20)23-11-12-24-19-13-15(2)5-6-16(19)3/h5-8,13-14H,4,9-12,21H2,1-3H3
InChIKeyAZUDICOCQLYSOI-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.66
Rot. Bonds9

About 2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine

2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine (PubChem CID 22681578) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine
PubChem CID22681578
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine
SMILESCCOc1cc(CCN)ccc1OCCOc1cc(C)ccc1C
InChIInChI=1S/C20H27NO3/c1-4-22-20-14-17(9-10-21)7-8-18(20)23-11-12-24-19-13-15(2)5-6-16(19)3/h5-8,13-14H,4,9-12,21H2,1-3H3
InChIKeyAZUDICOCQLYSOI-UHFFFAOYSA-N
XLogP3.66
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.66
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-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 20993016
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
2-[4-methoxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 20992244
2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 170868758
2-[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20992783
2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 83972845
[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 20988768
2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine
CID 62311006
4-(2-aminoethyl)-2-ethoxyaniline
CID 91191224
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine?
The IUPAC name of 2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine (CID 22681578) is 2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine is CCOc1cc(CCN)ccc1OCCOc1cc(C)ccc1C.
What is the InChIKey of 2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine?
The InChIKey is AZUDICOCQLYSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-4-22-20-14-17(9-10-21)7-8-18(20)23-11-12-24-19-13-15(2)5-6-16(19)3/h5-8,13-14H,4,9-12,21H2,1-3H3.
What are the key properties of 2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine?
2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine has a molecular weight of 329.44 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine is sourced from PubChem (CID 22681578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).