2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium

C16H28NO2+ — CID 2249072

IUPAC2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium
SMILESCC(C)c1ccccc1OCCCCC[NH2+]CCO
InChIInChI=1S/C16H27NO2/c1-14(2)15-8-4-5-9-16(15)19-13-7-3-6-10-17-11-12-18/h4-5,8-9,14,17-18H,3,6-7,10-13H2,1-2H3/p+1
InChIKeyQBSZKPXSJZSUFQ-UHFFFAOYSA-O
MW266.40 g/mol
LogP1.91
Rot. Bonds10

About 2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium

2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium (PubChem CID 2249072) has the molecular formula C16H28NO2+ and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium.

Molecular Properties

Compound Name2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium
PubChem CID2249072
Molecular FormulaC16H28NO2+
Molecular Weight266.40 g/mol
Exact Mass266.21
IUPAC Name2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium
SMILESCC(C)c1ccccc1OCCCCC[NH2+]CCO
InChIInChI=1S/C16H27NO2/c1-14(2)15-8-4-5-9-16(15)19-13-7-3-6-10-17-11-12-18/h4-5,8-9,14,17-18H,3,6-7,10-13H2,1-2H3/p+1
InChIKeyQBSZKPXSJZSUFQ-UHFFFAOYSA-O
XLogP1.91
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 51.91
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

5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium
CID 2251057
1-octoxy-2-propan-2-ylbenzene
CID 64765685
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium
CID 2249773
N-ethyl-5-(2-propan-2-ylphenoxy)pentan-1-amine
CID 55077101
2-hydroxyethyl-[2-(2-methoxyphenoxy)ethyl]azanium
CID 2262875
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069
(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium?
The IUPAC name of 2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium (CID 2249072) is 2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium.
What is the SMILES notation for 2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium?
The canonical SMILES for 2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium is CC(C)c1ccccc1OCCCCC[NH2+]CCO.
What is the InChIKey of 2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium?
The InChIKey is QBSZKPXSJZSUFQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H27NO2/c1-14(2)15-8-4-5-9-16(15)19-13-7-3-6-10-17-11-12-18/h4-5,8-9,14,17-18H,3,6-7,10-13H2,1-2H3/p+1.
What are the key properties of 2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium?
2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium has a molecular weight of 266.40 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-[5-(2-propan-2-ylphenoxy)pentyl]azanium is sourced from PubChem (CID 2249072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).