1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine

C14H13Br2NO — CID 114069332

IUPAC1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccccc2Br)cc1Br
InChIInChI=1S/C14H13Br2NO/c1-9(17)11-7-6-10(8-13(11)16)18-14-5-3-2-4-12(14)15/h2-9H,17H2,1H3
InChIKeyGGVWCSKKNPVISK-UHFFFAOYSA-N
MW371.07 g/mol
LogP5.02
Rot. Bonds3

About 1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine

1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine (PubChem CID 114069332) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine
PubChem CID114069332
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccccc2Br)cc1Br
InChIInChI=1S/C14H13Br2NO/c1-9(17)11-7-6-10(8-13(11)16)18-14-5-3-2-4-12(14)15/h2-9H,17H2,1H3
InChIKeyGGVWCSKKNPVISK-UHFFFAOYSA-N
XLogP5.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.07
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-bromo-4-(2-bromophenoxy)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

1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
(1S)-1-[2-bromo-4-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine
CID 114069465
1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine
CID 64719767
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 83234046
1-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 114069448
1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 43589925
1-[4-(2-bromophenoxy)phenyl]ethanol
CID 43506278
(1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine
CID 79403679
1-[2-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807088
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702
(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169557
1-bromo-2-(4-fluorophenoxy)benzene
CID 18423530

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine (CID 114069332) is 1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine is CC(N)c1ccc(Oc2ccccc2Br)cc1Br.
What is the InChIKey of 1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine?
The InChIKey is GGVWCSKKNPVISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-9(17)11-7-6-10(8-13(11)16)18-14-5-3-2-4-12(14)15/h2-9H,17H2,1H3.
What are the key properties of 1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine?
1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine has a molecular weight of 371.07 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine is sourced from PubChem (CID 114069332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).