2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline

C15H15BrFNO2 — CID 63593200

IUPAC2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(Oc2ccc(Br)cc2)c(N)cc1F
InChIInChI=1S/C15H15BrFNO2/c1-9(2)19-14-8-15(13(18)7-12(14)17)20-11-5-3-10(16)4-6-11/h3-9H,18H2,1-2H3
InChIKeyVFBBVOJMBUKAHI-UHFFFAOYSA-N
MW340.19 g/mol
LogP4.75
Rot. Bonds4

About 2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline

2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline (PubChem CID 63593200) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline
PubChem CID63593200
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(Oc2ccc(Br)cc2)c(N)cc1F
InChIInChI=1S/C15H15BrFNO2/c1-9(2)19-14-8-15(13(18)7-12(14)17)20-11-5-3-10(16)4-6-11/h3-9H,18H2,1-2H3
InChIKeyVFBBVOJMBUKAHI-UHFFFAOYSA-N
XLogP4.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63594228
2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63878623
2-(2-bromo-4-methylphenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593881
2-(2,4-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593349
2-(3-bromo-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline
CID 83233305
5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
CID 55215693
5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline
CID 63598441
2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
CID 63599508
5-bromo-4-fluoro-2-propan-2-yloxyaniline
CID 66111938
4-bromo-2-propan-2-yloxyaniline
CID 50998232
2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline
CID 63879848
1-N-(3-bromophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63592219

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline?
The IUPAC name of 2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline (CID 63593200) is 2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline?
The canonical SMILES for 2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline is CC(C)Oc1cc(Oc2ccc(Br)cc2)c(N)cc1F.
What is the InChIKey of 2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline?
The InChIKey is VFBBVOJMBUKAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-9(2)19-14-8-15(13(18)7-12(14)17)20-11-5-3-10(16)4-6-11/h3-9H,18H2,1-2H3.
What are the key properties of 2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline?
2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline has a molecular weight of 340.19 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline is sourced from PubChem (CID 63593200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).