4-bromo-2-(4-chloro-2-methylphenoxy)aniline

C13H11BrClNO — CID 65342319

IUPAC4-bromo-2-(4-chloro-2-methylphenoxy)aniline
SMILESCc1cc(Cl)ccc1Oc1cc(Br)ccc1N
InChIInChI=1S/C13H11BrClNO/c1-8-6-10(15)3-5-12(8)17-13-7-9(14)2-4-11(13)16/h2-7H,16H2,1H3
InChIKeyHYTBAAASAHXRAL-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.79
Rot. Bonds2

About 4-bromo-2-(4-chloro-2-methylphenoxy)aniline

4-bromo-2-(4-chloro-2-methylphenoxy)aniline (PubChem CID 65342319) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 4-bromo-2-(4-chloro-2-methylphenoxy)aniline.

Molecular Properties

Compound Name4-bromo-2-(4-chloro-2-methylphenoxy)aniline
PubChem CID65342319
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name4-bromo-2-(4-chloro-2-methylphenoxy)aniline
SMILESCc1cc(Cl)ccc1Oc1cc(Br)ccc1N
InChIInChI=1S/C13H11BrClNO/c1-8-6-10(15)3-5-12(8)17-13-7-9(14)2-4-11(13)16/h2-7H,16H2,1H3
InChIKeyHYTBAAASAHXRAL-UHFFFAOYSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.79
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-2,6-dimethylphenoxy)aniline
CID 65342585
5-bromo-2-(4-chloro-2-methylphenoxy)-4-fluoroaniline
CID 66110372
4-bromo-2-(4-chloro-2-methylphenoxy)benzoic acid
CID 43364863
4-amino-3-(4-chloro-2-methylphenoxy)benzamide
CID 55188748
5-bromo-2-(4-bromo-2-methylphenoxy)aniline
CID 63457786
2-(2-bromo-4-methylphenoxy)-4-chloroaniline
CID 113315875
5-bromo-2-(4-chloro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892706
2-[(4-bromo-2-methylphenoxy)methyl]-4-chloroaniline
CID 79582431
5-bromo-2-(2-bromo-4-chlorophenoxy)aniline
CID 29302429
2-(5-bromo-2-methylphenoxy)-4-methoxyaniline
CID 107283339
4-bromo-2-(2,3,6-trimethylphenoxy)aniline
CID 65342539
6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine
CID 18419480

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-chloro-2-methylphenoxy)aniline?
The IUPAC name of 4-bromo-2-(4-chloro-2-methylphenoxy)aniline (CID 65342319) is 4-bromo-2-(4-chloro-2-methylphenoxy)aniline.
What is the SMILES notation for 4-bromo-2-(4-chloro-2-methylphenoxy)aniline?
The canonical SMILES for 4-bromo-2-(4-chloro-2-methylphenoxy)aniline is Cc1cc(Cl)ccc1Oc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-(4-chloro-2-methylphenoxy)aniline?
The InChIKey is HYTBAAASAHXRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-8-6-10(15)3-5-12(8)17-13-7-9(14)2-4-11(13)16/h2-7H,16H2,1H3.
What are the key properties of 4-bromo-2-(4-chloro-2-methylphenoxy)aniline?
4-bromo-2-(4-chloro-2-methylphenoxy)aniline has a molecular weight of 312.59 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-chloro-2-methylphenoxy)aniline is sourced from PubChem (CID 65342319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).