2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine

C11H14BrNO — CID 60905064

IUPAC2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine
SMILESC=CCOc1ccc(Br)cc1CCN
InChIInChI=1S/C11H14BrNO/c1-2-7-14-11-4-3-10(12)8-9(11)5-6-13/h2-4,8H,1,5-7,13H2
InChIKeyDMZASMNTECQASY-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.52
Rot. Bonds5

About 2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine

2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine (PubChem CID 60905064) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine
PubChem CID60905064
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine
SMILESC=CCOc1ccc(Br)cc1CCN
InChIInChI=1S/C11H14BrNO/c1-2-7-14-11-4-3-10(12)8-9(11)5-6-13/h2-4,8H,1,5-7,13H2
InChIKeyDMZASMNTECQASY-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine 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

1-(5-bromo-2-prop-2-enoxyphenyl)propan-2-amine
CID 60907452
2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 60906211
2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine
CID 60905415
2-(5-bromo-2-heptoxyphenyl)ethanamine
CID 55199979
[5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 60878117
N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 2992441
2-[(5-bromo-2-prop-2-enoxyphenyl)methyl]oxirane
CID 177437623
2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 60905780
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine
CID 62264353
2-[5-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63774428
6-[2-(2-aminoethyl)-4-bromophenoxy]-2,2-dimethylhexanenitrile
CID 106713599

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine (CID 60905064) is 2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine is C=CCOc1ccc(Br)cc1CCN.
What is the InChIKey of 2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine?
The InChIKey is DMZASMNTECQASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-2-7-14-11-4-3-10(12)8-9(11)5-6-13/h2-4,8H,1,5-7,13H2.
What are the key properties of 2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine?
2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine has a molecular weight of 256.14 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine is sourced from PubChem (CID 60905064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).