butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium

C15H24Cl2NO+ — CID 2247783

IUPACbutyl-[5-(2,4-dichlorophenoxy)pentyl]azanium
SMILESCCCC[NH2+]CCCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO/c1-2-3-9-18-10-5-4-6-11-19-15-8-7-13(16)12-14(15)17/h7-8,12,18H,2-6,9-11H2,1H3/p+1
InChIKeyABSGBWBKWSDDFT-UHFFFAOYSA-O
MW305.27 g/mol
LogP3.91
Rot. Bonds10

About butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium

butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium (PubChem CID 2247783) has the molecular formula C15H24Cl2NO+ and a molecular weight of 305.27 g/mol. Its IUPAC name is butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium.

Molecular Properties

Compound Namebutyl-[5-(2,4-dichlorophenoxy)pentyl]azanium
PubChem CID2247783
Molecular FormulaC15H24Cl2NO+
Molecular Weight305.27 g/mol
Exact Mass304.12
IUPAC Namebutyl-[5-(2,4-dichlorophenoxy)pentyl]azanium
SMILESCCCC[NH2+]CCCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO/c1-2-3-9-18-10-5-4-6-11-19-15-8-7-13(16)12-14(15)17/h7-8,12,18H,2-6,9-11H2,1H3/p+1
InChIKeyABSGBWBKWSDDFT-UHFFFAOYSA-O
XLogP3.91
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 53.91
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

butyl-[4-(2,5-dichlorophenoxy)butyl]azanium
CID 2261994
6-(2,4-dichlorophenoxy)hexyl-(2-hydroxyethyl)azanium
CID 2247482
3-(4-bromo-2-chlorophenoxy)propyl-butylazanium
CID 2297484
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
butyl-[6-(2-fluorophenoxy)hexyl]azanium
CID 2251024
hexadecyl 2-(2,4-dichlorophenoxy)acetate
CID 154124758
dodecyl 2-(2,4-dichlorophenoxy)acetate
CID 6454472
5-chloro-2-decoxyaniline
CID 55187694
3-chloro-4-nonoxyaniline
CID 43129005
2-butoxy-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine
CID 62571535
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113

Frequently Asked Questions

What is the IUPAC name of butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium?
The IUPAC name of butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium (CID 2247783) is butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium.
What is the SMILES notation for butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium?
The canonical SMILES for butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium is CCCC[NH2+]CCCCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium?
The InChIKey is ABSGBWBKWSDDFT-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23Cl2NO/c1-2-3-9-18-10-5-4-6-11-19-15-8-7-13(16)12-14(15)17/h7-8,12,18H,2-6,9-11H2,1H3/p+1.
What are the key properties of butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium?
butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium has a molecular weight of 305.27 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[5-(2,4-dichlorophenoxy)pentyl]azanium is sourced from PubChem (CID 2247783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).