5-bromo-4-fluoro-2-pentan-3-yloxyaniline

C11H15BrFNO — CID 103482882

IUPAC5-bromo-4-fluoro-2-pentan-3-yloxyaniline
SMILESCCC(CC)Oc1cc(F)c(Br)cc1N
InChIInChI=1S/C11H15BrFNO/c1-3-7(4-2)15-11-6-9(13)8(12)5-10(11)14/h5-7H,3-4,14H2,1-2H3
InChIKeyIBGVJDZRXKWRDQ-UHFFFAOYSA-N
MW276.15 g/mol
LogP3.74
Rot. Bonds4

About 5-bromo-4-fluoro-2-pentan-3-yloxyaniline

5-bromo-4-fluoro-2-pentan-3-yloxyaniline (PubChem CID 103482882) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-pentan-3-yloxyaniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-pentan-3-yloxyaniline
PubChem CID103482882
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name5-bromo-4-fluoro-2-pentan-3-yloxyaniline
SMILESCCC(CC)Oc1cc(F)c(Br)cc1N
InChIInChI=1S/C11H15BrFNO/c1-3-7(4-2)15-11-6-9(13)8(12)5-10(11)14/h5-7H,3-4,14H2,1-2H3
InChIKeyIBGVJDZRXKWRDQ-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-fluoro-2-propan-2-yloxyaniline
CID 66111938
5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline
CID 66111940
2-(2-amino-4-bromo-5-fluorophenoxy)propanamide
CID 103483009
1,4-dibromo-2,5-di(pentan-3-yloxy)benzene
CID 102111957
5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline
CID 82004312
5-bromo-4-fluoro-2-nonoxyaniline
CID 103482858
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
CID 66111157
5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline
CID 115505357
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
CID 66112531
5-bromo-4-fluoro-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline
CID 103483064
5-bromo-2-butan-2-ylsulfanyl-4-fluoroaniline
CID 66109593

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-pentan-3-yloxyaniline?
The IUPAC name of 5-bromo-4-fluoro-2-pentan-3-yloxyaniline (CID 103482882) is 5-bromo-4-fluoro-2-pentan-3-yloxyaniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-pentan-3-yloxyaniline?
The canonical SMILES for 5-bromo-4-fluoro-2-pentan-3-yloxyaniline is CCC(CC)Oc1cc(F)c(Br)cc1N.
What is the InChIKey of 5-bromo-4-fluoro-2-pentan-3-yloxyaniline?
The InChIKey is IBGVJDZRXKWRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-3-7(4-2)15-11-6-9(13)8(12)5-10(11)14/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 5-bromo-4-fluoro-2-pentan-3-yloxyaniline?
5-bromo-4-fluoro-2-pentan-3-yloxyaniline has a molecular weight of 276.15 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-pentan-3-yloxyaniline is sourced from PubChem (CID 103482882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).