2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium

C14H22NO2+ — CID 7380512

IUPAC2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium
SMILESC=CC[NH2+]CCOc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-4-9-15-10-11-16-13-5-7-14(8-6-13)17-12(2)3/h4-8,12,15H,1,9-11H2,2-3H3/p+1
InChIKeyUPIIEGYDXBADTD-UHFFFAOYSA-O
MW236.34 g/mol
LogP1.60
Rot. Bonds8

About 2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium

2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium (PubChem CID 7380512) has the molecular formula C14H22NO2+ and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium
PubChem CID7380512
Molecular FormulaC14H22NO2+
Molecular Weight236.34 g/mol
Exact Mass236.16
IUPAC Name2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium
SMILESC=CC[NH2+]CCOc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-4-9-15-10-11-16-13-5-7-14(8-6-13)17-12(2)3/h4-8,12,15H,1,9-11H2,2-3H3/p+1
InChIKeyUPIIEGYDXBADTD-UHFFFAOYSA-O
XLogP1.60
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.60
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'}

Analyze 2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxyphenoxy)ethyl-prop-2-enylazanium
CID 7285461
4-(3-methyl-4-propan-2-ylphenoxy)butyl-prop-2-enylazanium
CID 2300224
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
(1S)-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine;hydrochloride
CID 171230366
3-(3-bromophenoxy)propyl-prop-2-enylazanium
CID 2299596
2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine
CID 15764663
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392
(5-bromo-2-propan-2-yloxyphenyl)methyl-prop-2-enylazanium
CID 7390206
2-fluoro-4-(4-propan-2-yloxyphenoxy)but-2-en-1-amine
CID 91495363
1-(4-propan-2-yloxyphenyl)but-3-enylhydrazine
CID 105269810
N-ethyl-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine
CID 116660776

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium?
The IUPAC name of 2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium (CID 7380512) is 2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium.
What is the SMILES notation for 2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium?
The canonical SMILES for 2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium is C=CC[NH2+]CCOc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium?
The InChIKey is UPIIEGYDXBADTD-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21NO2/c1-4-9-15-10-11-16-13-5-7-14(8-6-13)17-12(2)3/h4-8,12,15H,1,9-11H2,2-3H3/p+1.
What are the key properties of 2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium?
2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium has a molecular weight of 236.34 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenoxy)ethyl-prop-2-enylazanium is sourced from PubChem (CID 7380512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).