2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium

C16H24NO+ — CID 7439785

IUPAC2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)CCOc1ccc(CC)cc1
InChIInChI=1S/C16H23NO/c1-4-11-17(12-5-2)13-14-18-16-9-7-15(6-3)8-10-16/h4-5,7-10H,1-2,6,11-14H2,3H3/p+1
InChIKeyIHFUVMNFABZVBF-UHFFFAOYSA-O
MW246.37 g/mol
LogP1.88
Rot. Bonds9

About 2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium

2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium (PubChem CID 7439785) has the molecular formula C16H24NO+ and a molecular weight of 246.37 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium
PubChem CID7439785
Molecular FormulaC16H24NO+
Molecular Weight246.37 g/mol
Exact Mass246.19
IUPAC Name2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)CCOc1ccc(CC)cc1
InChIInChI=1S/C16H23NO/c1-4-11-17(12-5-2)13-14-18-16-9-7-15(6-3)8-10-16/h4-5,7-10H,1-2,6,11-14H2,3H3/p+1
InChIKeyIHFUVMNFABZVBF-UHFFFAOYSA-O
XLogP1.88
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-oct-7-enoxybenzene
CID 158431404
diethyl-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]azanium
CID 2246292
2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium
CID 7442982
bis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium
CID 7442944
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 29045466
2-[4-[(2S)-2-azaniumylpropyl]phenoxy]ethyl-diethylazanium
CID 6947774
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54796136
1-ethyl-4-[4-(4,4,4-trifluorobutoxy)phenyl]benzene
CID 18335308
N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride
CID 75531601
(4-ethylphenyl)-[4-[6-[4-[(4-ethylphenyl)diazenyl]phenoxy]hexoxy]phenyl]diazene
CID 101048956

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium?
The IUPAC name of 2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium (CID 7439785) is 2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium.
What is the SMILES notation for 2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium?
The canonical SMILES for 2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium is C=CC[NH+](CC=C)CCOc1ccc(CC)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium?
The InChIKey is IHFUVMNFABZVBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23NO/c1-4-11-17(12-5-2)13-14-18-16-9-7-15(6-3)8-10-16/h4-5,7-10H,1-2,6,11-14H2,3H3/p+1.
What are the key properties of 2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium?
2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium has a molecular weight of 246.37 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)ethyl-bis(prop-2-enyl)azanium is sourced from PubChem (CID 7439785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).