2-[(5-bromo-2-fluorophenyl)methoxy]propan-1-amine

C10H13BrFNO — CID 57032529

IUPAC2-[(5-bromo-2-fluorophenyl)methoxy]propan-1-amine
SMILESCC(CN)OCc1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO/c1-7(5-13)14-6-8-4-9(11)2-3-10(8)12/h2-4,7H,5-6,13H2,1H3
InChIKeyOHFYWJJGBSGNJF-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.45
Rot. Bonds4

About 2-[(5-bromo-2-fluorophenyl)methoxy]propan-1-amine

2-[(5-bromo-2-fluorophenyl)methoxy]propan-1-amine (PubChem CID 57032529) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methoxy]propan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methoxy]propan-1-amine
PubChem CID57032529
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-[(5-bromo-2-fluorophenyl)methoxy]propan-1-amine
SMILESCC(CN)OCc1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO/c1-7(5-13)14-6-8-4-9(11)2-3-10(8)12/h2-4,7H,5-6,13H2,1H3
InChIKeyOHFYWJJGBSGNJF-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methoxy]propan-1-amine?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methoxy]propan-1-amine (CID 57032529) is 2-[(5-bromo-2-fluorophenyl)methoxy]propan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methoxy]propan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methoxy]propan-1-amine is CC(CN)OCc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methoxy]propan-1-amine?
The InChIKey is OHFYWJJGBSGNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-7(5-13)14-6-8-4-9(11)2-3-10(8)12/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methoxy]propan-1-amine?
2-[(5-bromo-2-fluorophenyl)methoxy]propan-1-amine has a molecular weight of 262.12 g/mol, XLogP of 2.45, 4 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]propan-1-amine is sourced from PubChem (CID 57032529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).