2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine

C10H13BrClNO — CID 6459407

IUPAC2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine
SMILESCCNCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClNO/c1-2-13-5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7,13H,2,5-6H2,1H3
InChIKeyCUGDATRJYAEKFC-UHFFFAOYSA-N
MW278.58 g/mol
LogP3.09
Rot. Bonds5

About 2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine

2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine (PubChem CID 6459407) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine
PubChem CID6459407
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine
SMILESCCNCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C10H13BrClNO/c1-2-13-5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7,13H,2,5-6H2,1H3
InChIKeyCUGDATRJYAEKFC-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-1-amine
CID 2297485
(2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol
CID 7375680
N-[2-(4-bromo-2-chlorophenoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62599602
(2R)-N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-2-amine
CID 2181982
N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-2-amine
CID 2934466
2-(2-bromo-4-methylphenoxy)-N-ethylethanamine
CID 27186818
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-methylurea
CID 108882470
5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine
CID 55161142
3-(4-bromo-2-chlorophenoxy)propyl-butylazanium
CID 2297484
N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide
CID 108882534
5-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
CID 62451735

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine (CID 6459407) is 2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine is CCNCCOc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine?
The InChIKey is CUGDATRJYAEKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO/c1-2-13-5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine?
2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine has a molecular weight of 278.58 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine is sourced from PubChem (CID 6459407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).