butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium

C19H34NO+ — CID 2262501

IUPACbutyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium
SMILESCCCC[NH2+]CCCCOc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C19H33NO/c1-6-7-12-20-13-8-9-14-21-18-11-10-16(2)15-17(18)19(3,4)5/h10-11,15,20H,6-9,12-14H2,1-5H3/p+1
InChIKeyZVFPENHZYJJOBU-UHFFFAOYSA-O
MW292.49 g/mol
LogP3.82
Rot. Bonds9

About butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium

butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium (PubChem CID 2262501) has the molecular formula C19H34NO+ and a molecular weight of 292.49 g/mol. Its IUPAC name is butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium.

Molecular Properties

Compound Namebutyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium
PubChem CID2262501
Molecular FormulaC19H34NO+
Molecular Weight292.49 g/mol
Exact Mass292.26
IUPAC Namebutyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium
SMILESCCCC[NH2+]CCCCOc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C19H33NO/c1-6-7-12-20-13-8-9-14-21-18-11-10-16(2)15-17(18)19(3,4)5/h10-11,15,20H,6-9,12-14H2,1-5H3/p+1
InChIKeyZVFPENHZYJJOBU-UHFFFAOYSA-O
XLogP3.82
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.82
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

3-(2-tert-butyl-4-methylphenoxy)-N-propylpropan-1-amine
CID 29016016
butyl-[2-(4-tert-butyl-2-methylphenoxy)ethyl]azanium
CID 2580791
2-(2-bromo-4-methylphenoxy)ethyl-butylazanium
CID 2299617
2-azaniumylethyl-[3-(2-tert-butyl-5-methylphenoxy)propyl]azanium
CID 2299817
1-[4-(2-tert-butyl-4-methylphenoxy)butyl]pyrrolidine
CID 2263098
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]-2-methylpropan-2-amine;hydrochloride
CID 2866024
2-amino-6-(2-tert-butyl-4-methylphenoxy)-2-methylhexan-1-ol
CID 64802218
butyl-[6-(4-methylphenoxy)hexyl]azanium
CID 2248796
2-tert-butyl-1-but-3-ynoxy-4-methylbenzene
CID 63656034
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine
CID 62573018
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]pentan-2-amine
CID 63505239
butyl-[5-(4-tert-butylphenoxy)pentyl]azanium
CID 2248472

Frequently Asked Questions

What is the IUPAC name of butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium?
The IUPAC name of butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium (CID 2262501) is butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium.
What is the SMILES notation for butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium?
The canonical SMILES for butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium is CCCC[NH2+]CCCCOc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium?
The InChIKey is ZVFPENHZYJJOBU-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H33NO/c1-6-7-12-20-13-8-9-14-21-18-11-10-16(2)15-17(18)19(3,4)5/h10-11,15,20H,6-9,12-14H2,1-5H3/p+1.
What are the key properties of butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium?
butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium has a molecular weight of 292.49 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium is sourced from PubChem (CID 2262501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).