tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium

C15H26NO+ — CID 2262255

IUPACtert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium
SMILESCc1cc(C)c(C)c(OCC[NH2+]C(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-11-9-12(2)13(3)14(10-11)17-8-7-16-15(4,5)6/h9-10,16H,7-8H2,1-6H3/p+1
InChIKeyUHQJTURVQAGYAA-UHFFFAOYSA-O
MW236.38 g/mol
LogP2.35
Rot. Bonds4

About tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium

tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium (PubChem CID 2262255) has the molecular formula C15H26NO+ and a molecular weight of 236.38 g/mol. Its IUPAC name is tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium.

Molecular Properties

Compound Nametert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium
PubChem CID2262255
Molecular FormulaC15H26NO+
Molecular Weight236.38 g/mol
Exact Mass236.20
IUPAC Nametert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium
SMILESCc1cc(C)c(C)c(OCC[NH2+]C(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-11-9-12(2)13(3)14(10-11)17-8-7-16-15(4,5)6/h9-10,16H,7-8H2,1-6H3/p+1
InChIKeyUHQJTURVQAGYAA-UHFFFAOYSA-O
XLogP2.35
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-5-(2,3,5-trimethylphenoxy)pentan-1-amine
CID 63497364
2,2-dimethyl-5-(2,3,5-trimethylphenoxy)pentanenitrile
CID 65257217
6-(2,3,5-trimethylphenoxy)hexane-1-thiol
CID 2304768
1-(3-bromo-2,2-dimethylpropoxy)-2,3,5-trimethylbenzene
CID 64995454
2-[2-(2,3,5-trimethylphenoxy)ethoxy]ethanol
CID 61076408
2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine
CID 62598558
2-(4-bromo-2-chlorophenoxy)ethyl-tert-butylazanium
CID 2299633
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
CID 29016141
1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
CID 64812758
N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119522177
N-tert-butyl-4-(2,3,5-trimethylphenoxy)butan-1-amine;oxalic acid
CID 2865538

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium?
The IUPAC name of tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium (CID 2262255) is tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium.
What is the SMILES notation for tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium?
The canonical SMILES for tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium is Cc1cc(C)c(C)c(OCC[NH2+]C(C)(C)C)c1.
What is the InChIKey of tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium?
The InChIKey is UHQJTURVQAGYAA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H25NO/c1-11-9-12(2)13(3)14(10-11)17-8-7-16-15(4,5)6/h9-10,16H,7-8H2,1-6H3/p+1.
What are the key properties of tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium?
tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium has a molecular weight of 236.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(2,3,5-trimethylphenoxy)ethyl]azanium is sourced from PubChem (CID 2262255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).