5-bromo-2-(2,3-dimethylphenoxy)aniline

C14H14BrNO — CID 26190424

IUPAC5-bromo-2-(2,3-dimethylphenoxy)aniline
SMILESCc1cccc(Oc2ccc(Br)cc2N)c1C
InChIInChI=1S/C14H14BrNO/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15)8-12(14)16/h3-8H,16H2,1-2H3
InChIKeyHNISHZZVRWEPFN-UHFFFAOYSA-N
MW292.18 g/mol
LogP4.44
Rot. Bonds2

About 5-bromo-2-(2,3-dimethylphenoxy)aniline

5-bromo-2-(2,3-dimethylphenoxy)aniline (PubChem CID 26190424) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 5-bromo-2-(2,3-dimethylphenoxy)aniline.

Molecular Properties

Compound Name5-bromo-2-(2,3-dimethylphenoxy)aniline
PubChem CID26190424
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name5-bromo-2-(2,3-dimethylphenoxy)aniline
SMILESCc1cccc(Oc2ccc(Br)cc2N)c1C
InChIInChI=1S/C14H14BrNO/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15)8-12(14)16/h3-8H,16H2,1-2H3
InChIKeyHNISHZZVRWEPFN-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 54.44
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-2-(4-bromo-2-methylphenoxy)aniline
CID 63457786
5-bromo-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980259
5-bromo-2-(2,3-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892727
1-[5-bromo-2-(bromomethyl)phenoxy]-2,3-dimethylbenzene
CID 107086768
5-bromo-2-(3-bromophenoxy)aniline
CID 29030936
5-bromo-2-(3-chloro-2-fluorophenoxy)aniline
CID 116688643
1-[4-bromo-2-(2,3-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282787
3-(2-amino-4-bromophenoxy)-4-methylbenzonitrile
CID 107655195
5-bromo-2-[2-[(dimethylamino)methyl]phenoxy]aniline
CID 11301666
3-(3-amino-2-methylphenoxy)-2-methylaniline
CID 18405813
5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467
2-(2-amino-4-bromophenoxy)-5-methylbenzonitrile
CID 114017421

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3-dimethylphenoxy)aniline?
The IUPAC name of 5-bromo-2-(2,3-dimethylphenoxy)aniline (CID 26190424) is 5-bromo-2-(2,3-dimethylphenoxy)aniline.
What is the SMILES notation for 5-bromo-2-(2,3-dimethylphenoxy)aniline?
The canonical SMILES for 5-bromo-2-(2,3-dimethylphenoxy)aniline is Cc1cccc(Oc2ccc(Br)cc2N)c1C.
What is the InChIKey of 5-bromo-2-(2,3-dimethylphenoxy)aniline?
The InChIKey is HNISHZZVRWEPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15)8-12(14)16/h3-8H,16H2,1-2H3.
What are the key properties of 5-bromo-2-(2,3-dimethylphenoxy)aniline?
5-bromo-2-(2,3-dimethylphenoxy)aniline has a molecular weight of 292.18 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3-dimethylphenoxy)aniline is sourced from PubChem (CID 26190424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).