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

C14H13BrClNO — CID 82976219

IUPAC1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Br)cc1Oc1ccccc1Cl
InChIInChI=1S/C14H13BrClNO/c1-9(17)11-7-6-10(15)8-14(11)18-13-5-3-2-4-12(13)16/h2-9H,17H2,1H3
InChIKeyOZWJPHWYDFSLGR-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.91
Rot. Bonds3

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

1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine (PubChem CID 82976219) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine
PubChem CID82976219
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Br)cc1Oc1ccccc1Cl
InChIInChI=1S/C14H13BrClNO/c1-9(17)11-7-6-10(15)8-14(11)18-13-5-3-2-4-12(13)16/h2-9H,17H2,1H3
InChIKeyOZWJPHWYDFSLGR-UHFFFAOYSA-N
XLogP4.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine
CID 82976080
1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 82975446
1-[4-bromo-2-(5-bromo-2,3-difluorophenoxy)phenyl]ethanamine
CID 107099987
(1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine
CID 28551604
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
1-[4-bromo-2-(5-chloro-2-nitrophenoxy)phenyl]ethanamine
CID 82955704
(1R)-1-(4-bromo-2-pentan-3-yloxyphenyl)ethanamine
CID 102946639
1-[4-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970825
1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol
CID 82971318
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 82975522
1-[4-bromo-2-(2,2-difluoro-2-phenylethoxy)phenyl]ethanamine
CID 102946387
(1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 102947100

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine (CID 82976219) is 1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine is CC(N)c1ccc(Br)cc1Oc1ccccc1Cl.
What is the InChIKey of 1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine?
The InChIKey is OZWJPHWYDFSLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9(17)11-7-6-10(15)8-14(11)18-13-5-3-2-4-12(13)16/h2-9H,17H2,1H3.
What are the key properties of 1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine?
1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine has a molecular weight of 326.62 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2-chlorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 82976219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).