N-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine

C15H25NO — CID 65303192

IUPACN-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine
SMILESCCNCCOCCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO/c1-5-16-7-9-17-8-6-15-13(3)10-12(2)11-14(15)4/h10-11,16H,5-9H2,1-4H3
InChIKeyBLGIOWZWRZSRLM-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.78
Rot. Bonds7

About N-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine

N-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine (PubChem CID 65303192) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine
PubChem CID65303192
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine
SMILESCCNCCOCCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO/c1-5-16-7-9-17-8-6-15-13(3)10-12(2)11-14(15)4/h10-11,16H,5-9H2,1-4H3
InChIKeyBLGIOWZWRZSRLM-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Triethylamine, 2-((2,6-dimethylphenethyl)oxy)-
CID 213758
Triethylamine, 2-((p-methylphenethyl)oxy)-
CID 213370
(2R)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]morpholine
CID 58689708
1-(Methylamino)-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 65810898
1-Methylamino-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 93696824
1-(3,4-dimethylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61755295
N-[1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 61756499
N-[2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 61756500
N-[1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 61756501
N-methyl-2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 61756510
N-[1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 61757102
1-(2,4-dimethylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61757307

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine?
The IUPAC name of N-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine (CID 65303192) is N-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine is CCNCCOCCc1c(C)cc(C)cc1C.
What is the InChIKey of N-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine?
The InChIKey is BLGIOWZWRZSRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-16-7-9-17-8-6-15-13(3)10-12(2)11-14(15)4/h10-11,16H,5-9H2,1-4H3.
What are the key properties of N-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine?
N-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine is sourced from PubChem (CID 65303192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).