2-[(5-bromo-2-fluorophenyl)methoxy]-N,N-dimethylethanamine

C11H15BrFNO — CID 21196119

IUPAC2-[(5-bromo-2-fluorophenyl)methoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-14(2)5-6-15-8-9-7-10(12)3-4-11(9)13/h3-4,7H,5-6,8H2,1-2H3
InChIKeySJLJACNFSFJPGH-UHFFFAOYSA-N
MW276.15 g/mol
LogP2.67
Rot. Bonds5

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

2-[(5-bromo-2-fluorophenyl)methoxy]-N,N-dimethylethanamine (PubChem CID 21196119) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methoxy]-N,N-dimethylethanamine
PubChem CID21196119
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name2-[(5-bromo-2-fluorophenyl)methoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO/c1-14(2)5-6-15-8-9-7-10(12)3-4-11(9)13/h3-4,7H,5-6,8H2,1-2H3
InChIKeySJLJACNFSFJPGH-UHFFFAOYSA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.67
H-Bond Donors ≤ 50
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,N-dimethylethanamine?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methoxy]-N,N-dimethylethanamine (CID 21196119) is 2-[(5-bromo-2-fluorophenyl)methoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methoxy]-N,N-dimethylethanamine is CN(C)CCOCc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methoxy]-N,N-dimethylethanamine?
The InChIKey is SJLJACNFSFJPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-14(2)5-6-15-8-9-7-10(12)3-4-11(9)13/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methoxy]-N,N-dimethylethanamine?
2-[(5-bromo-2-fluorophenyl)methoxy]-N,N-dimethylethanamine has a molecular weight of 276.15 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 21196119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).