5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline

C13H10BrClFNO — CID 66110372

IUPAC5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline
SMILESCc1cc(Cl)ccc1Oc1cc(F)c(Br)cc1N
InChIInChI=1S/C13H10BrClFNO/c1-7-4-8(15)2-3-12(7)18-13-6-10(16)9(14)5-11(13)17/h2-6H,17H2,1H3
InChIKeySSSYFTRCHPZZAL-UHFFFAOYSA-N
MW330.58 g/mol
LogP4.92
Rot. Bonds2

About 5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline

5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline (PubChem CID 66110372) has the molecular formula C13H10BrClFNO and a molecular weight of 330.58 g/mol. Its IUPAC name is 5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline
PubChem CID66110372
Molecular FormulaC13H10BrClFNO
Molecular Weight330.58 g/mol
Exact Mass328.96
IUPAC Name5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline
SMILESCc1cc(Cl)ccc1Oc1cc(F)c(Br)cc1N
InChIInChI=1S/C13H10BrClFNO/c1-7-4-8(15)2-3-12(7)18-13-6-10(16)9(14)5-11(13)17/h2-6H,17H2,1H3
InChIKeySSSYFTRCHPZZAL-UHFFFAOYSA-N
XLogP4.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.58
LogP ≤ 54.92
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

4-bromo-2-(4-chloro-2-methylphenoxy)aniline
CID 65342319
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline
CID 103591054
5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
CID 66112531
5-bromo-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-fluoroaniline
CID 103483716
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
4-bromo-2-(4-chloro-3-methylphenoxy)-5-fluoroaniline
CID 116736446
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571
5-bromo-2-(2-tert-butyl-5-methylphenoxy)-4-fluoroaniline
CID 66111165
2-(2-bromo-4-methylphenoxy)-4-chloroaniline
CID 113315875
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
CID 113443527
3-amino-4-(4-chloro-2-methylphenoxy)benzamide
CID 43448530

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline?
The IUPAC name of 5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline (CID 66110372) is 5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline is Cc1cc(Cl)ccc1Oc1cc(F)c(Br)cc1N.
What is the InChIKey of 5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline?
The InChIKey is SSSYFTRCHPZZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO/c1-7-4-8(15)2-3-12(7)18-13-6-10(16)9(14)5-11(13)17/h2-6H,17H2,1H3.
What are the key properties of 5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline?
5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline has a molecular weight of 330.58 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline is sourced from PubChem (CID 66110372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).