5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline

C12H17BrFNO — CID 66111940

IUPAC5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline
SMILESCC(C)CC(C)Oc1cc(F)c(Br)cc1N
InChIInChI=1S/C12H17BrFNO/c1-7(2)4-8(3)16-12-6-10(14)9(13)5-11(12)15/h5-8H,4,15H2,1-3H3
InChIKeyUPUMSVBXBHUAEI-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.98
Rot. Bonds4

About 5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline

5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline (PubChem CID 66111940) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline
PubChem CID66111940
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline
SMILESCC(C)CC(C)Oc1cc(F)c(Br)cc1N
InChIInChI=1S/C12H17BrFNO/c1-7(2)4-8(3)16-12-6-10(14)9(13)5-11(12)15/h5-8H,4,15H2,1-3H3
InChIKeyUPUMSVBXBHUAEI-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 53.98
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-pentan-3-yloxyaniline
CID 103482882
2-(2-amino-4-bromo-5-fluorophenoxy)propanamide
CID 103483009
5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline
CID 82004312
2-(4-bromo-2-chloro-5-fluorophenoxy)propan-1-amine
CID 126976561
5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline
CID 115505357
4-fluoro-5-iodo-2-(1-methoxypropan-2-yloxy)aniline
CID 66099971
1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine
CID 55132091
5-bromo-4-fluoro-2-nonoxyaniline
CID 103482858
5-chloro-4-fluoro-2-pentan-2-yloxyaniline
CID 102980349
5-bromo-4-(4-methylpentan-2-yloxy)pyridin-3-amine
CID 103518709
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
CID 66111157

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline?
The IUPAC name of 5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline (CID 66111940) is 5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline?
The canonical SMILES for 5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline is CC(C)CC(C)Oc1cc(F)c(Br)cc1N.
What is the InChIKey of 5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline?
The InChIKey is UPUMSVBXBHUAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-7(2)4-8(3)16-12-6-10(14)9(13)5-11(12)15/h5-8H,4,15H2,1-3H3.
What are the key properties of 5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline?
5-bromo-4-fluoro-2-(4-methylpentan-2-yloxy)aniline has a molecular weight of 290.18 g/mol, XLogP of 3.98, 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-(4-methylpentan-2-yloxy)aniline is sourced from PubChem (CID 66111940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).