5-(2-chlorophenoxy)pentyl-diethylazanium

C15H25ClNO+ — CID 2232789

IUPAC5-(2-chlorophenoxy)pentyl-diethylazanium
SMILESCC[NH+](CC)CCCCCOc1ccccc1Cl
InChIInChI=1S/C15H24ClNO/c1-3-17(4-2)12-8-5-9-13-18-15-11-7-6-10-14(15)16/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3/p+1
InChIKeyJVAUIGFOENFNCC-UHFFFAOYSA-O
MW270.82 g/mol
LogP2.81
Rot. Bonds9

About 5-(2-chlorophenoxy)pentyl-diethylazanium

5-(2-chlorophenoxy)pentyl-diethylazanium (PubChem CID 2232789) has the molecular formula C15H25ClNO+ and a molecular weight of 270.82 g/mol. Its IUPAC name is 5-(2-chlorophenoxy)pentyl-diethylazanium.

Molecular Properties

Compound Name5-(2-chlorophenoxy)pentyl-diethylazanium
PubChem CID2232789
Molecular FormulaC15H25ClNO+
Molecular Weight270.82 g/mol
Exact Mass270.16
IUPAC Name5-(2-chlorophenoxy)pentyl-diethylazanium
SMILESCC[NH+](CC)CCCCCOc1ccccc1Cl
InChIInChI=1S/C15H24ClNO/c1-3-17(4-2)12-8-5-9-13-18-15-11-7-6-10-14(15)16/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3/p+1
InChIKeyJVAUIGFOENFNCC-UHFFFAOYSA-O
XLogP2.81
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.82
LogP ≤ 52.81
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

diethyl-[6-(2-methoxyphenoxy)hexyl]azanium
CID 2304713
diethyl(6-phenoxyhexyl)azanium
CID 2057301
1-chloro-2-(4-methoxybutoxy)benzene
CID 59339544
6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine
CID 2232650
2-(2,3-dichlorophenoxy)ethyl-diethylazanium chloride
CID 134107311
N-butyl-5-(2-chlorophenoxy)pentan-1-amine
CID 2247459
diethyl-[3-(2-phenylphenoxy)propyl]azanium
CID 2296595
1-chloro-2-(6-propan-2-ylsulfanylhexoxy)benzene
CID 2232763
2-[2-amino-3-[3-(2-chlorophenoxy)propyl]benzimidazol-3-ium-1-yl]ethyl-diethylazanium
CID 7371915
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
3-(2-chlorophenoxy)-N-propylpropan-1-amine
CID 29015603
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium
CID 8779437

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenoxy)pentyl-diethylazanium?
The IUPAC name of 5-(2-chlorophenoxy)pentyl-diethylazanium (CID 2232789) is 5-(2-chlorophenoxy)pentyl-diethylazanium.
What is the SMILES notation for 5-(2-chlorophenoxy)pentyl-diethylazanium?
The canonical SMILES for 5-(2-chlorophenoxy)pentyl-diethylazanium is CC[NH+](CC)CCCCCOc1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenoxy)pentyl-diethylazanium?
The InChIKey is JVAUIGFOENFNCC-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24ClNO/c1-3-17(4-2)12-8-5-9-13-18-15-11-7-6-10-14(15)16/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3/p+1.
What are the key properties of 5-(2-chlorophenoxy)pentyl-diethylazanium?
5-(2-chlorophenoxy)pentyl-diethylazanium has a molecular weight of 270.82 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenoxy)pentyl-diethylazanium is sourced from PubChem (CID 2232789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).