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

C12H19NO2 — CID 28749670

IUPAC2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
SMILESCc1ccc(OCCOCCN)c(C)c1
InChIInChI=1S/C12H19NO2/c1-10-3-4-12(11(2)9-10)15-8-7-14-6-5-13/h3-4,9H,5-8,13H2,1-2H3
InChIKeyHHXVUQILLNJBDF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.66
Rot. Bonds6

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

2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine (PubChem CID 28749670) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
PubChem CID28749670
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
SMILESCc1ccc(OCCOCCN)c(C)c1
InChIInChI=1S/C12H19NO2/c1-10-3-4-12(11(2)9-10)15-8-7-14-6-5-13/h3-4,9H,5-8,13H2,1-2H3
InChIKeyHHXVUQILLNJBDF-UHFFFAOYSA-N
XLogP1.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.66
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

1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354127
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine
CID 3870944
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188
2-[3-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22687843
2-(2-fluoro-4-methylphenoxy)ethanamine
CID 83695309
2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine
CID 163408322
ethyl 2-[2-(2-aminoethoxy)ethoxy]-4-methylbenzenesulfonate
CID 175036248

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine (CID 28749670) is 2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine is Cc1ccc(OCCOCCN)c(C)c1.
What is the InChIKey of 2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine?
The InChIKey is HHXVUQILLNJBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-3-4-12(11(2)9-10)15-8-7-14-6-5-13/h3-4,9H,5-8,13H2,1-2H3.
What are the key properties of 2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine?
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine is sourced from PubChem (CID 28749670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).