1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine

C10H13BrFNO2 — CID 82711632

IUPAC1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1ccc(Br)c(F)c1
InChIInChI=1S/C10H13BrFNO2/c1-14-4-5-15-13-7-8-2-3-9(11)10(12)6-8/h2-3,6,13H,4-5,7H2,1H3
InChIKeyRJZRNHUKWAECIC-UHFFFAOYSA-N
MW278.12 g/mol
LogP2.26
Rot. Bonds6

About 1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine

1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine (PubChem CID 82711632) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine
PubChem CID82711632
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1ccc(Br)c(F)c1
InChIInChI=1S/C10H13BrFNO2/c1-14-4-5-15-13-7-8-2-3-9(11)10(12)6-8/h2-3,6,13H,4-5,7H2,1H3
InChIKeyRJZRNHUKWAECIC-UHFFFAOYSA-N
XLogP2.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 52.26
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-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine (CID 82711632) is 1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine is COCCONCc1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine?
The InChIKey is RJZRNHUKWAECIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-14-4-5-15-13-7-8-2-3-9(11)10(12)6-8/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine?
1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine has a molecular weight of 278.12 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine is sourced from PubChem (CID 82711632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).