1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine

C10H13BrClNO — CID 105007829

IUPAC1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine
SMILESCCOCC(N)c1cccc(Br)c1Cl
InChIInChI=1S/C10H13BrClNO/c1-2-14-6-9(13)7-4-3-5-8(11)10(7)12/h3-5,9H,2,6,13H2,1H3
InChIKeyARLITGMAPTWKJR-UHFFFAOYSA-N
MW278.58 g/mol
LogP3.14
Rot. Bonds4

About 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine

1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine (PubChem CID 105007829) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine
PubChem CID105007829
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine
SMILESCCOCC(N)c1cccc(Br)c1Cl
InChIInChI=1S/C10H13BrClNO/c1-2-14-6-9(13)7-4-3-5-8(11)10(7)12/h3-5,9H,2,6,13H2,1H3
InChIKeyARLITGMAPTWKJR-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 131128367
1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol
CID 115818734
[1-(3-bromo-2-chlorophenyl)-2-ethoxyethyl]hydrazine
CID 105321283
1-(3-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 115782025
1-(2-bromo-3-methylphenyl)-2-ethoxyethanamine
CID 107985181
1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine
CID 107994199
(3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine
CID 115853550
(1R)-1-(3-bromo-2-chlorophenyl)ethanamine
CID 121347621
1-(3-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanamine
CID 115843513
1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866631
1-(3-bromo-2-methylphenyl)-2-propoxyethanamine
CID 105008530
1-(3-bromo-2-chlorophenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044258

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine (CID 105007829) is 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine is CCOCC(N)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine?
The InChIKey is ARLITGMAPTWKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO/c1-2-14-6-9(13)7-4-3-5-8(11)10(7)12/h3-5,9H,2,6,13H2,1H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine?
1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine has a molecular weight of 278.58 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine is sourced from PubChem (CID 105007829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).