2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine

C12H17BrFNO — CID 114676924

IUPAC2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine
SMILESCCCC(CNC)Oc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFNO/c1-3-4-10(8-15-2)16-12-7-9(13)5-6-11(12)14/h5-7,10,15H,3-4,8H2,1-2H3
InChIKeyQJYHEMXXWWBAPW-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.36
Rot. Bonds6

About 2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine

2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine (PubChem CID 114676924) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine
PubChem CID114676924
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine
SMILESCCCC(CNC)Oc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFNO/c1-3-4-10(8-15-2)16-12-7-9(13)5-6-11(12)14/h5-7,10,15H,3-4,8H2,1-2H3
InChIKeyQJYHEMXXWWBAPW-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-propan-2-ylpentan-1-amine
CID 83044360
N-[2-(5-bromo-2-fluorophenoxy)propyl]pentan-2-amine
CID 114677015
N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine
CID 114676931
3-(5-bromo-2-fluorophenoxy)-N,2-dimethylpropan-1-amine
CID 114674436
2-(4-bromo-2,5-dichlorophenoxy)-N-methylpentan-1-amine
CID 107661046
(2S)-2-(5-bromo-2-fluorophenoxy)propan-1-ol
CID 163228830
ethyl 2-(5-bromo-2-fluorophenoxy)butanoate
CID 114671561
N-methyl-2-(2-methylphenoxy)pentan-1-amine
CID 83045023
2-(3-fluorophenoxy)-N-methylpentan-1-amine
CID 83046683
2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide
CID 115919130
N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine
CID 107285996
3-(5-bromo-2-fluorophenoxy)butan-2-ol
CID 115919572

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine (CID 114676924) is 2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine is CCCC(CNC)Oc1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine?
The InChIKey is QJYHEMXXWWBAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-3-4-10(8-15-2)16-12-7-9(13)5-6-11(12)14/h5-7,10,15H,3-4,8H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine?
2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine has a molecular weight of 290.18 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine is sourced from PubChem (CID 114676924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).