2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine

C10H13BrFNO — CID 20662437

IUPAC2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine
SMILESCNCCOCc1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO/c1-13-4-5-14-7-8-6-9(11)2-3-10(8)12/h2-3,6,13H,4-5,7H2,1H3
InChIKeyUUFVLDQTWMSAHQ-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.32
Rot. Bonds5

About 2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine

2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine (PubChem CID 20662437) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine
PubChem CID20662437
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine
SMILESCNCCOCc1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO/c1-13-4-5-14-7-8-6-9(11)2-3-10(8)12/h2-3,6,13H,4-5,7H2,1H3
InChIKeyUUFVLDQTWMSAHQ-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine (CID 20662437) is 2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine is CNCCOCc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine?
The InChIKey is UUFVLDQTWMSAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-13-4-5-14-7-8-6-9(11)2-3-10(8)12/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine?
2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine has a molecular weight of 262.12 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methoxy]-N-methylethanamine is sourced from PubChem (CID 20662437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).