2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine

C14H12BrCl2NO — CID 114863000

IUPAC2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine
SMILESNCCc1ccc(Cl)cc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C14H12BrCl2NO/c15-12-7-10(16)3-4-13(12)19-14-8-11(17)2-1-9(14)5-6-18/h1-4,7-8H,5-6,18H2
InChIKeyCZVBJPHFSDHXSZ-UHFFFAOYSA-N
MW361.07 g/mol
LogP5.05
Rot. Bonds4

About 2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine

2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine (PubChem CID 114863000) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine
PubChem CID114863000
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine
SMILESNCCc1ccc(Cl)cc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C14H12BrCl2NO/c15-12-7-10(16)3-4-13(12)19-14-8-11(17)2-1-9(14)5-6-18/h1-4,7-8H,5-6,18H2
InChIKeyCZVBJPHFSDHXSZ-UHFFFAOYSA-N
XLogP5.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.07
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63803304
2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 63816804
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
CID 28947283
2-[2-(4-chloro-2-fluorophenoxy)-4-methoxyphenyl]ethanamine
CID 69464363
2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114862686
[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]methanamine
CID 79516224
5-bromo-2-(2-bromo-4-chlorophenoxy)aniline
CID 29302429
2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402942
2-bromo-4-chloro-1-(2-chlorophenoxy)benzene
CID 169336335
[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine
CID 114838134
2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63880236

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine?
The IUPAC name of 2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine (CID 114863000) is 2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine?
The canonical SMILES for 2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine is NCCc1ccc(Cl)cc1Oc1ccc(Cl)cc1Br.
What is the InChIKey of 2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine?
The InChIKey is CZVBJPHFSDHXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c15-12-7-10(16)3-4-13(12)19-14-8-11(17)2-1-9(14)5-6-18/h1-4,7-8H,5-6,18H2.
What are the key properties of 2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine?
2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine has a molecular weight of 361.07 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4-chlorophenoxy)-4-chlorophenyl]ethanamine is sourced from PubChem (CID 114863000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).