1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine

C11H15BrFNO2 — CID 82963124

IUPAC1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine
SMILESCOCCONC(C)c1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNO2/c1-8(14-16-6-5-15-2)10-4-3-9(12)7-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyGZOTUFAYJZAKSQ-UHFFFAOYSA-N
MW292.15 g/mol
LogP2.82
Rot. Bonds6

About 1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine

1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine (PubChem CID 82963124) has the molecular formula C11H15BrFNO2 and a molecular weight of 292.15 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine
PubChem CID82963124
Molecular FormulaC11H15BrFNO2
Molecular Weight292.15 g/mol
Exact Mass291.03
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine
SMILESCOCCONC(C)c1ccc(Br)cc1F
InChIInChI=1S/C11H15BrFNO2/c1-8(14-16-6-5-15-2)10-4-3-9(12)7-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyGZOTUFAYJZAKSQ-UHFFFAOYSA-N
XLogP2.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine (CID 82963124) is 1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine is COCCONC(C)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine?
The InChIKey is GZOTUFAYJZAKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2/c1-8(14-16-6-5-15-2)10-4-3-9(12)7-11(10)13/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine?
1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine has a molecular weight of 292.15 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 82963124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).