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

C13H12BrNO — CID 65342479

IUPAC4-bromo-2-(4-methylphenoxy)aniline
SMILESCc1ccc(Oc2cc(Br)ccc2N)cc1
InChIInChI=1S/C13H12BrNO/c1-9-2-5-11(6-3-9)16-13-8-10(14)4-7-12(13)15/h2-8H,15H2,1H3
InChIKeyBDVSOVIRNMUZTJ-UHFFFAOYSA-N
MW278.15 g/mol
LogP4.13
Rot. Bonds2

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

4-bromo-2-(4-methylphenoxy)aniline (PubChem CID 65342479) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-bromo-2-(4-methylphenoxy)aniline.

Molecular Properties

Compound Name4-bromo-2-(4-methylphenoxy)aniline
PubChem CID65342479
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name4-bromo-2-(4-methylphenoxy)aniline
SMILESCc1ccc(Oc2cc(Br)ccc2N)cc1
InChIInChI=1S/C13H12BrNO/c1-9-2-5-11(6-3-9)16-13-8-10(14)4-7-12(13)15/h2-8H,15H2,1H3
InChIKeyBDVSOVIRNMUZTJ-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-(4-methylphenoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenoxy)benzene-1,4-diamine
CID 163806910
4-bromo-2-(4-propan-2-ylphenoxy)aniline
CID 65342696
2-(5-bromo-2-methylphenoxy)-4-methoxyaniline
CID 107283339
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
4-bromo-2-(2,3,6-trimethylphenoxy)aniline
CID 65342539
2-(4-ethoxyphenoxy)-4-methylaniline
CID 26189599
5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467
4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373
methyl 4-amino-3-(4-methylphenoxy)benzoate
CID 79017162
4-bromo-2-[3-(dimethylamino)phenoxy]aniline
CID 65342268
2-(1,3-benzodioxol-5-yloxy)-4-bromoaniline
CID 65342101
4-bromo-2-(4-chloro-2,6-dimethylphenoxy)aniline
CID 65342585

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-methylphenoxy)aniline?
The IUPAC name of 4-bromo-2-(4-methylphenoxy)aniline (CID 65342479) is 4-bromo-2-(4-methylphenoxy)aniline.
What is the SMILES notation for 4-bromo-2-(4-methylphenoxy)aniline?
The canonical SMILES for 4-bromo-2-(4-methylphenoxy)aniline is Cc1ccc(Oc2cc(Br)ccc2N)cc1.
What is the InChIKey of 4-bromo-2-(4-methylphenoxy)aniline?
The InChIKey is BDVSOVIRNMUZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-9-2-5-11(6-3-9)16-13-8-10(14)4-7-12(13)15/h2-8H,15H2,1H3.
What are the key properties of 4-bromo-2-(4-methylphenoxy)aniline?
4-bromo-2-(4-methylphenoxy)aniline has a molecular weight of 278.15 g/mol, XLogP of 4.13, 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-methylphenoxy)aniline is sourced from PubChem (CID 65342479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).