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

C18H23NO2 — CID 22687843

IUPAC2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
SMILESCc1ccc(OCCOc2cccc(CCN)c2)c(C)c1
InChIInChI=1S/C18H23NO2/c1-14-6-7-18(15(2)12-14)21-11-10-20-17-5-3-4-16(13-17)8-9-19/h3-7,12-13H,8-11,19H2,1-2H3
InChIKeyUQQLWLROOXAACU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.26
Rot. Bonds7

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

2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine (PubChem CID 22687843) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
PubChem CID22687843
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
SMILESCc1ccc(OCCOc2cccc(CCN)c2)c(C)c1
InChIInChI=1S/C18H23NO2/c1-14-6-7-18(15(2)12-14)21-11-10-20-17-5-3-4-16(13-17)8-9-19/h3-7,12-13H,8-11,19H2,1-2H3
InChIKeyUQQLWLROOXAACU-UHFFFAOYSA-N
XLogP3.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22681607
2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 61482133
[3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine
CID 64854022
2-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80693684
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine
CID 63941169
2-[6-(2,4-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640333
2-[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20992783
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine
CID 22681578
[3-[3-(2-chloro-5-methylphenoxy)propoxy]phenyl]methanamine
CID 43531016

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine (CID 22687843) is 2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine is Cc1ccc(OCCOc2cccc(CCN)c2)c(C)c1.
What is the InChIKey of 2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine?
The InChIKey is UQQLWLROOXAACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-6-7-18(15(2)12-14)21-11-10-20-17-5-3-4-16(13-17)8-9-19/h3-7,12-13H,8-11,19H2,1-2H3.
What are the key properties of 2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine?
2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 22687843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).