1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine

C14H13BrClNO — CID 82975717

IUPAC1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine
SMILESCC(N)c1cc(Br)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H13BrClNO/c1-9(17)13-7-10(15)5-6-14(13)18-12-4-2-3-11(16)8-12/h2-9H,17H2,1H3
InChIKeyKWYXKQIJFCJZNO-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.91
Rot. Bonds3

About 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine

1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine (PubChem CID 82975717) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine
PubChem CID82975717
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine
SMILESCC(N)c1cc(Br)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H13BrClNO/c1-9(17)13-7-10(15)5-6-14(13)18-12-4-2-3-11(16)8-12/h2-9H,17H2,1H3
InChIKeyKWYXKQIJFCJZNO-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-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol
CID 82970527
5-bromo-2-(3-chlorophenoxy)benzenecarbothioamide
CID 114892206
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402372
1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine
CID 64719767
1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 43189220
(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 78936916
4-bromo-1-(chloromethyl)-2-(3-chlorophenoxy)benzene
CID 43365197
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 78932662
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107
5-bromo-2-(3-chlorophenoxy)benzenecarboximidamide
CID 114893186
1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]-N-methylethanamine
CID 82976164

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine (CID 82975717) is 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine is CC(N)c1cc(Br)ccc1Oc1cccc(Cl)c1.
What is the InChIKey of 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine?
The InChIKey is KWYXKQIJFCJZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9(17)13-7-10(15)5-6-14(13)18-12-4-2-3-11(16)8-12/h2-9H,17H2,1H3.
What are the key properties of 1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine?
1-[5-bromo-2-(3-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-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 82975717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).