butyl-[2-(3-ethylphenoxy)ethyl]azanium

C14H24NO+ — CID 2296697

IUPACbutyl-[2-(3-ethylphenoxy)ethyl]azanium
SMILESCCCC[NH2+]CCOc1cccc(CC)c1
InChIInChI=1S/C14H23NO/c1-3-5-9-15-10-11-16-14-8-6-7-13(4-2)12-14/h6-8,12,15H,3-5,9-11H2,1-2H3/p+1
InChIKeyQROSTMOOWFHKLZ-UHFFFAOYSA-O
MW222.35 g/mol
LogP1.99
Rot. Bonds8

About butyl-[2-(3-ethylphenoxy)ethyl]azanium

butyl-[2-(3-ethylphenoxy)ethyl]azanium (PubChem CID 2296697) has the molecular formula C14H24NO+ and a molecular weight of 222.35 g/mol. Its IUPAC name is butyl-[2-(3-ethylphenoxy)ethyl]azanium.

Molecular Properties

Compound Namebutyl-[2-(3-ethylphenoxy)ethyl]azanium
PubChem CID2296697
Molecular FormulaC14H24NO+
Molecular Weight222.35 g/mol
Exact Mass222.19
IUPAC Namebutyl-[2-(3-ethylphenoxy)ethyl]azanium
SMILESCCCC[NH2+]CCOc1cccc(CC)c1
InChIInChI=1S/C14H23NO/c1-3-5-9-15-10-11-16-14-8-6-7-13(4-2)12-14/h6-8,12,15H,3-5,9-11H2,1-2H3/p+1
InChIKeyQROSTMOOWFHKLZ-UHFFFAOYSA-O
XLogP1.99
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.99
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-[2-(3-methoxyphenoxy)ethyl]azanium
CID 2262768
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene)
CID 161427356
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127
[(2S)-butan-2-yl]-[3-(3-ethylphenoxy)propyl]azanium
CID 2184599
butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium
CID 2280743
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
5-(3-ethylphenoxy)-N-propylpentan-1-amine
CID 62449956
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822

Frequently Asked Questions

What is the IUPAC name of butyl-[2-(3-ethylphenoxy)ethyl]azanium?
The IUPAC name of butyl-[2-(3-ethylphenoxy)ethyl]azanium (CID 2296697) is butyl-[2-(3-ethylphenoxy)ethyl]azanium.
What is the SMILES notation for butyl-[2-(3-ethylphenoxy)ethyl]azanium?
The canonical SMILES for butyl-[2-(3-ethylphenoxy)ethyl]azanium is CCCC[NH2+]CCOc1cccc(CC)c1.
What is the InChIKey of butyl-[2-(3-ethylphenoxy)ethyl]azanium?
The InChIKey is QROSTMOOWFHKLZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23NO/c1-3-5-9-15-10-11-16-14-8-6-7-13(4-2)12-14/h6-8,12,15H,3-5,9-11H2,1-2H3/p+1.
What are the key properties of butyl-[2-(3-ethylphenoxy)ethyl]azanium?
butyl-[2-(3-ethylphenoxy)ethyl]azanium has a molecular weight of 222.35 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-(3-ethylphenoxy)ethyl]azanium is sourced from PubChem (CID 2296697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).