2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine

C12H19NO2 — CID 63326313

IUPAC2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
SMILESCOCCOc1ccc(C)cc1CCN
InChIInChI=1S/C12H19NO2/c1-10-3-4-12(15-8-7-14-2)11(9-10)5-6-13/h3-4,9H,5-8,13H2,1-2H3
InChIKeyJBDKXDCGVZBGKF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.52
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine

2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine (PubChem CID 63326313) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
PubChem CID63326313
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
SMILESCOCCOc1ccc(C)cc1CCN
InChIInChI=1S/C12H19NO2/c1-10-3-4-12(15-8-7-14-2)11(9-10)5-6-13/h3-4,9H,5-8,13H2,1-2H3
InChIKeyJBDKXDCGVZBGKF-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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-[5-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 113327213
2-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethanamine
CID 79227935
2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 63325127
2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935989
2-[5-methyl-2-(3-methylbut-2-enoxy)phenyl]ethanamine
CID 63325800
2-[5-chloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411486
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-ethylacetamide
CID 55203033
2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63326109
2-[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]ethanamine
CID 61482092
2-(2-methoxyethoxy)-5-methylphenol
CID 89108915
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine?
The IUPAC name of 2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine (CID 63326313) is 2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine is COCCOc1ccc(C)cc1CCN.
What is the InChIKey of 2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine?
The InChIKey is JBDKXDCGVZBGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-3-4-12(15-8-7-14-2)11(9-10)5-6-13/h3-4,9H,5-8,13H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine?
2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine is sourced from PubChem (CID 63326313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).