2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine

C15H25NO2 — CID 62598558

IUPAC2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine
SMILESCCOCCNCCOc1cc(C)cc(C)c1C
InChIInChI=1S/C15H25NO2/c1-5-17-8-6-16-7-9-18-15-11-12(2)10-13(3)14(15)4/h10-11,16H,5-9H2,1-4H3
InChIKeyPRPYHYUWLHRYFA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.62
Rot. Bonds8

About 2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine

2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine (PubChem CID 62598558) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine
PubChem CID62598558
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine
SMILESCCOCCNCCOc1cc(C)cc(C)c1C
InChIInChI=1S/C15H25NO2/c1-5-17-8-6-16-7-9-18-15-11-12(2)10-13(3)14(15)4/h10-11,16H,5-9H2,1-4H3
InChIKeyPRPYHYUWLHRYFA-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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

N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
CID 29016141
3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine
CID 62598903
3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine
CID 64854707
N-[2-(2,3,5-trimethylphenoxy)ethyl]pentan-2-amine
CID 62598036
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine
CID 62573018
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 55093300
N-[2-(2,3,5-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517014
2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol
CID 61076408
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
CID 55024091
4-bromo-N-[2-(2,3,5-trimethylphenoxy)ethyl]aniline
CID 63516850
2-[2-[2-[3-[2-[2-(2-azanidylethoxy)ethoxy]ethoxy]-2,5-dimethylphenoxy]ethoxy]ethoxy]ethylazanide;1,2,3,5-tetramethylbenzene
CID 159741840
tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium
CID 2262255

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine (CID 62598558) is 2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine is CCOCCNCCOc1cc(C)cc(C)c1C.
What is the InChIKey of 2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine?
The InChIKey is PRPYHYUWLHRYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-17-8-6-16-7-9-18-15-11-12(2)10-13(3)14(15)4/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine?
2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 62598558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).