2-(2-prop-2-enylphenoxy)ethanamine chloride

C11H15ClNO- — CID 21228786

IUPAC2-(2-prop-2-enylphenoxy)ethanamine chloride
SMILESC=CCc1ccccc1OCCN.[Cl-]
InChIInChI=1S/C11H15NO.ClH/c1-2-5-10-6-3-4-7-11(10)13-9-8-12;/h2-4,6-7H,1,5,8-9,12H2;1H/p-1
InChIKeyDAUNJJPHDOETMZ-UHFFFAOYSA-M
MW212.70 g/mol
LogP-1.24
Rot. Bonds5

About 2-(2-prop-2-enylphenoxy)ethanamine chloride

2-(2-prop-2-enylphenoxy)ethanamine chloride (PubChem CID 21228786) has the molecular formula C11H15ClNO- and a molecular weight of 212.70 g/mol. Its IUPAC name is 2-(2-prop-2-enylphenoxy)ethanamine chloride.

Molecular Properties

Compound Name2-(2-prop-2-enylphenoxy)ethanamine chloride
PubChem CID21228786
Molecular FormulaC11H15ClNO-
Molecular Weight212.70 g/mol
Exact Mass212.08
IUPAC Name2-(2-prop-2-enylphenoxy)ethanamine chloride
SMILESC=CCc1ccccc1OCCN.[Cl-]
InChIInChI=1S/C11H15NO.ClH/c1-2-5-10-6-3-4-7-11(10)13-9-8-12;/h2-4,6-7H,1,5,8-9,12H2;1H/p-1
InChIKeyDAUNJJPHDOETMZ-UHFFFAOYSA-M
XLogP-1.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine
CID 103074650
2-[2-(2-prop-2-enylphenoxy)ethoxy]benzenecarbothioamide
CID 22684964
2-[2-(2-aminoethoxy)phenoxy]ethanamine
CID 2054448
1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
CID 14224427
4-methyl-1-[2-(2-prop-2-enylphenoxy)ethyl]piperidin-1-ium
CID 2297396
1-prop-2-enyl-2-propylperoxybenzene
CID 87336505
1-bromo-2-[(2-prop-2-enylphenoxy)methyl]benzene
CID 91655599
1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 155566405
methyl 4-(2-prop-2-enylphenoxy)butanoate
CID 43608103
N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine
CID 2934658
palladium(2+);2-prop-2-enylaniline;dichloride
CID 3036591

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylphenoxy)ethanamine chloride?
The IUPAC name of 2-(2-prop-2-enylphenoxy)ethanamine chloride (CID 21228786) is 2-(2-prop-2-enylphenoxy)ethanamine chloride.
What is the SMILES notation for 2-(2-prop-2-enylphenoxy)ethanamine chloride?
The canonical SMILES for 2-(2-prop-2-enylphenoxy)ethanamine chloride is C=CCc1ccccc1OCCN.[Cl-].
What is the InChIKey of 2-(2-prop-2-enylphenoxy)ethanamine chloride?
The InChIKey is DAUNJJPHDOETMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15NO.ClH/c1-2-5-10-6-3-4-7-11(10)13-9-8-12;/h2-4,6-7H,1,5,8-9,12H2;1H/p-1.
What are the key properties of 2-(2-prop-2-enylphenoxy)ethanamine chloride?
2-(2-prop-2-enylphenoxy)ethanamine chloride has a molecular weight of 212.70 g/mol, XLogP of -1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylphenoxy)ethanamine chloride is sourced from PubChem (CID 21228786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).