2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine

C11H12BrCl2NO — CID 79172889

IUPAC2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
SMILESNCCc1cccc(Br)c1OCC(Cl)=CCl
InChIInChI=1S/C11H12BrCl2NO/c12-10-3-1-2-8(4-5-15)11(10)16-7-9(14)6-13/h1-3,6H,4-5,7,15H2
InChIKeySAXJJJMTOCONLN-UHFFFAOYSA-N
MW325.03 g/mol
LogP3.65
Rot. Bonds5

About 2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine

2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine (PubChem CID 79172889) has the molecular formula C11H12BrCl2NO and a molecular weight of 325.03 g/mol. Its IUPAC name is 2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
PubChem CID79172889
Molecular FormulaC11H12BrCl2NO
Molecular Weight325.03 g/mol
Exact Mass322.95
IUPAC Name2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
SMILESNCCc1cccc(Br)c1OCC(Cl)=CCl
InChIInChI=1S/C11H12BrCl2NO/c12-10-3-1-2-8(4-5-15)11(10)16-7-9(14)6-13/h1-3,6H,4-5,7,15H2
InChIKeySAXJJJMTOCONLN-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.03
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]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

2-(3-bromo-2-ethoxyphenyl)ethanamine
CID 61391880
2-[3-bromo-2-(3-methylbut-2-enoxy)phenyl]ethanamine
CID 61391911
2-[2-(2-aminoethyl)-6-bromophenoxy]-1-pyrrolidin-1-ylethanone
CID 61391986
2-[2-(2-aminoethyl)-6-bromophenoxy]-1-(azepan-1-yl)ethanone
CID 61391992
2-[3-bromo-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114476290
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489103
2-(3-bromo-2-nonoxyphenyl)ethanamine
CID 63421758
2-(3-bromo-2-decoxyphenyl)ethanamine
CID 63421842
2-[3-bromo-2-(3-phenoxypropoxy)phenyl]ethanamine
CID 62937844
methyl 3-[2-(2-aminoethyl)-6-bromophenoxy]-2,2-dimethylpropanoate
CID 79619837
2-[4-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine
CID 79173371
2-[3-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 114857497

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine (CID 79172889) is 2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine is NCCc1cccc(Br)c1OCC(Cl)=CCl.
What is the InChIKey of 2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine?
The InChIKey is SAXJJJMTOCONLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO/c12-10-3-1-2-8(4-5-15)11(10)16-7-9(14)6-13/h1-3,6H,4-5,7,15H2.
What are the key properties of 2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine?
2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine has a molecular weight of 325.03 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(2,3-dichloroprop-2-enoxy)phenyl]ethanamine is sourced from PubChem (CID 79172889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).