5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium

C17H30NO2+ — CID 2251057

IUPAC5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium
SMILESCC(C)(C)c1ccccc1OCCCCC[NH2+]CCO
InChIInChI=1S/C17H29NO2/c1-17(2,3)15-9-5-6-10-16(15)20-14-8-4-7-11-18-12-13-19/h5-6,9-10,18-19H,4,7-8,11-14H2,1-3H3/p+1
InChIKeyZVKXCFPICVDNLS-UHFFFAOYSA-O
MW280.43 g/mol
LogP2.09
Rot. Bonds9

About 5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium

5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium (PubChem CID 2251057) has the molecular formula C17H30NO2+ and a molecular weight of 280.43 g/mol. Its IUPAC name is 5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium
PubChem CID2251057
Molecular FormulaC17H30NO2+
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium
SMILESCC(C)(C)c1ccccc1OCCCCC[NH2+]CCO
InChIInChI=1S/C17H29NO2/c1-17(2,3)15-9-5-6-10-16(15)20-14-8-4-7-11-18-12-13-19/h5-6,9-10,18-19H,4,7-8,11-14H2,1-3H3/p+1
InChIKeyZVKXCFPICVDNLS-UHFFFAOYSA-O
XLogP2.09
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium
CID 2249072
1-tert-butyl-2-heptoxybenzene
CID 64763672
1-(9-bromononoxy)-2-tert-butylbenzene
CID 105343207
2-[2-(2-tert-butylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2280492
2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium
CID 2249773
2-[2-(2-tert-butylphenoxy)ethylamino]ethanol
CID 39259210
2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium
CID 2262875
5-(2-tert-butylphenoxy)pentan-2-one
CID 43793545
butyl-[6-(2-fluorophenoxy)hexyl]azanium
CID 2251024
butyl-[4-(2-tert-butyl-4-methylphenoxy)butyl]azanium
CID 2262501
N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine
CID 62451843
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium?
The IUPAC name of 5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium (CID 2251057) is 5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium.
What is the SMILES notation for 5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium?
The canonical SMILES for 5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium is CC(C)(C)c1ccccc1OCCCCC[NH2+]CCO.
What is the InChIKey of 5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium?
The InChIKey is ZVKXCFPICVDNLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H29NO2/c1-17(2,3)15-9-5-6-10-16(15)20-14-8-4-7-11-18-12-13-19/h5-6,9-10,18-19H,4,7-8,11-14H2,1-3H3/p+1.
What are the key properties of 5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium?
5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium has a molecular weight of 280.43 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium is sourced from PubChem (CID 2251057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).