1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine

C15H25NO2 — CID 63640644

IUPAC1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(C)cc1OCCOCC
InChIInChI=1S/C15H25NO2/c1-5-16-13(4)14-8-7-12(3)11-15(14)18-10-9-17-6-2/h7-8,11,13,16H,5-6,9-10H2,1-4H3
InChIKeyRNNHYZFQDGVXHM-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.08
Rot. Bonds8

About 1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine

1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine (PubChem CID 63640644) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
PubChem CID63640644
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(C)cc1OCCOCC
InChIInChI=1S/C15H25NO2/c1-5-16-13(4)14-8-7-12(3)11-15(14)18-10-9-17-6-2/h7-8,11,13,16H,5-6,9-10H2,1-4H3
InChIKeyRNNHYZFQDGVXHM-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.08
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-(3-ethoxypropoxy)-4-methylphenyl]-N-ethylethanamine
CID 65176576
N-ethyl-1-[4-methyl-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanamine
CID 63640489
1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640993
N-ethyl-1-[2-[2-(3-methoxypropoxy)ethoxy]-4-methylphenyl]ethanamine
CID 103177842
1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine
CID 55180092
(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
CID 63639630
3-[2-[1-(ethylamino)ethyl]-5-methylphenoxy]-N,N-dimethylpropanamide
CID 63640822
N-ethyl-1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115513259
N-ethyl-1-(4-methyl-2-prop-2-enoxyphenyl)ethanamine
CID 63640648
N-ethyl-1-[4-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanamine
CID 106722324
N-ethyl-1-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 63641162
1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640996

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine (CID 63640644) is 1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine is CCNC(C)c1ccc(C)cc1OCCOCC.
What is the InChIKey of 1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine?
The InChIKey is RNNHYZFQDGVXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-16-13(4)14-8-7-12(3)11-15(14)18-10-9-17-6-2/h7-8,11,13,16H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine?
1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine is sourced from PubChem (CID 63640644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).