2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium

C12H18NO2+ — CID 7285461

IUPAC2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium
SMILESC=CC[NH2+]CCOc1cccc(OC)c1
InChIInChI=1S/C12H17NO2/c1-3-7-13-8-9-15-12-6-4-5-11(10-12)14-2/h3-6,10,13H,1,7-9H2,2H3/p+1
InChIKeyUKLPNBKVWFNQMA-UHFFFAOYSA-O
MW208.28 g/mol
LogP0.82
Rot. Bonds7

About 2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium

2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium (PubChem CID 7285461) has the molecular formula C12H18NO2+ and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium
PubChem CID7285461
Molecular FormulaC12H18NO2+
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium
SMILESC=CC[NH2+]CCOc1cccc(OC)c1
InChIInChI=1S/C12H17NO2/c1-3-7-13-8-9-15-12-6-4-5-11(10-12)14-2/h3-6,10,13H,1,7-9H2,2H3/p+1
InChIKeyUKLPNBKVWFNQMA-UHFFFAOYSA-O
XLogP0.82
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium?
The IUPAC name of 2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium (CID 7285461) is 2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium.
What is the SMILES notation for 2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium?
The canonical SMILES for 2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium is C=CC[NH2+]CCOc1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium?
The InChIKey is UKLPNBKVWFNQMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H17NO2/c1-3-7-13-8-9-15-12-6-4-5-11(10-12)14-2/h3-6,10,13H,1,7-9H2,2H3/p+1.
What are the key properties of 2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium?
2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium has a molecular weight of 208.28 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium is sourced from PubChem (CID 7285461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).