2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine

C11H15BrFNO — CID 62550808

IUPAC2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFNO/c1-15-7-6-14-5-4-9-8-10(13)2-3-11(9)12/h2-3,8,14H,4-7H2,1H3
InChIKeyKULTZMSUGGNKKL-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.37
Rot. Bonds6

About 2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine

2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine (PubChem CID 62550808) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine
PubChem CID62550808
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFNO/c1-15-7-6-14-5-4-9-8-10(13)2-3-11(9)12/h2-3,8,14H,4-7H2,1H3
InChIKeyKULTZMSUGGNKKL-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine (CID 62550808) is 2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine is COCCNCCc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is KULTZMSUGGNKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-15-7-6-14-5-4-9-8-10(13)2-3-11(9)12/h2-3,8,14H,4-7H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine?
2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 276.15 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 62550808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).