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

C13H19BrFNO — CID 57322053

IUPAC5-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine
SMILESCC(CCCCN)OCc1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFNO/c1-10(4-2-3-7-16)17-9-11-8-12(14)5-6-13(11)15/h5-6,8,10H,2-4,7,9,16H2,1H3
InChIKeyYTYXYOQURLIMCT-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.62
Rot. Bonds7

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

5-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine (PubChem CID 57322053) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 5-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine.

Molecular Properties

Compound Name5-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine
PubChem CID57322053
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name5-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine
SMILESCC(CCCCN)OCc1cc(Br)ccc1F
InChIInChI=1S/C13H19BrFNO/c1-10(4-2-3-7-16)17-9-11-8-12(14)5-6-13(11)15/h5-6,8,10H,2-4,7,9,16H2,1H3
InChIKeyYTYXYOQURLIMCT-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.62
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 5-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine?
The IUPAC name of 5-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine (CID 57322053) is 5-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine.
What is the SMILES notation for 5-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine?
The canonical SMILES for 5-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine is CC(CCCCN)OCc1cc(Br)ccc1F.
What is the InChIKey of 5-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine?
The InChIKey is YTYXYOQURLIMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-10(4-2-3-7-16)17-9-11-8-12(14)5-6-13(11)15/h5-6,8,10H,2-4,7,9,16H2,1H3.
What are the key properties of 5-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine?
5-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine has a molecular weight of 304.20 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-fluorophenyl)methoxy]hexan-1-amine is sourced from PubChem (CID 57322053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).