1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine

C14H12Br2ClNO — CID 64719767

IUPAC1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccc(Br)cc2Br)cc1Cl
InChIInChI=1S/C14H12Br2ClNO/c1-8(18)11-4-3-10(7-13(11)17)19-14-5-2-9(15)6-12(14)16/h2-8H,18H2,1H3
InChIKeyMASQEMGXAILERU-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.68
Rot. Bonds3

About 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine

1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine (PubChem CID 64719767) has the molecular formula C14H12Br2ClNO and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine
PubChem CID64719767
Molecular FormulaC14H12Br2ClNO
Molecular Weight405.52 g/mol
Exact Mass402.90
IUPAC Name1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Oc2ccc(Br)cc2Br)cc1Cl
InChIInChI=1S/C14H12Br2ClNO/c1-8(18)11-4-3-10(7-13(11)17)19-14-5-2-9(15)6-12(14)16/h2-8H,18H2,1H3
InChIKeyMASQEMGXAILERU-UHFFFAOYSA-N
XLogP5.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine
CID 64721082
1-[4-(4-bromo-3-methylphenoxy)-2-chlorophenyl]ethanamine
CID 83140873
1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine
CID 82975717
1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102982281
1-[2-bromo-4-(2-bromophenoxy)phenyl]ethanamine
CID 114069332
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402372
(1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 78944452
1-[3-(2,4-dibromophenoxy)phenyl]propan-2-amine
CID 64713841
4-(2,4-dibromophenoxy)benzene-1,2-diamine
CID 106748492
1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine
CID 82976219
1-[2-chloro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169559
4-(4-bromo-2-propan-2-ylphenoxy)-2-chlorobenzonitrile
CID 115401793

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine (CID 64719767) is 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine is CC(N)c1ccc(Oc2ccc(Br)cc2Br)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine?
The InChIKey is MASQEMGXAILERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClNO/c1-8(18)11-4-3-10(7-13(11)17)19-14-5-2-9(15)6-12(14)16/h2-8H,18H2,1H3.
What are the key properties of 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine?
1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine has a molecular weight of 405.52 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine is sourced from PubChem (CID 64719767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).