2-bromo-5-methyl-4-phenoxyaniline

C13H12BrNO — CID 134607216

IUPAC2-bromo-5-methyl-4-phenoxyaniline
SMILESCc1cc(N)c(Br)cc1Oc1ccccc1
InChIInChI=1S/C13H12BrNO/c1-9-7-12(15)11(14)8-13(9)16-10-5-3-2-4-6-10/h2-8H,15H2,1H3
InChIKeyCPGBMVOENPUQBZ-UHFFFAOYSA-N
MW278.15 g/mol
LogP4.13
Rot. Bonds2

About 2-bromo-5-methyl-4-phenoxyaniline

2-bromo-5-methyl-4-phenoxyaniline (PubChem CID 134607216) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-bromo-5-methyl-4-phenoxyaniline.

Molecular Properties

Compound Name2-bromo-5-methyl-4-phenoxyaniline
PubChem CID134607216
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name2-bromo-5-methyl-4-phenoxyaniline
SMILESCc1cc(N)c(Br)cc1Oc1ccccc1
InChIInChI=1S/C13H12BrNO/c1-9-7-12(15)11(14)8-13(9)16-10-5-3-2-4-6-10/h2-8H,15H2,1H3
InChIKeyCPGBMVOENPUQBZ-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'}

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Related Compounds

2,5-diphenoxybenzene-1,4-diamine
CID 139696987
2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine
CID 142473868
N,3-dimethyl-4-phenoxyaniline
CID 143188330
2-bromo-4-[(4-methoxyphenyl)methoxy]-5-methylaniline
CID 137378485
2,6-dimethyl-4-phenoxyaniline
CID 12546819
2-methyl-3-phenoxyaniline;hydrochloride
CID 142758143
4,5-dimethoxy-2-phenoxyaniline
CID 83008509
2,5-dimethyl-4-[3-(S-methyl-N-phenylsulfonimidoyl)phenoxy]aniline
CID 153491952
ethane;1-methyl-2-phenoxybenzene
CID 90950955
2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
2-methyl-8-phenoxyquinolin-4-amine
CID 55063401
2-fluoro-5-methyl-4-pyridin-4-yloxyaniline
CID 160574792

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-4-phenoxyaniline?
The IUPAC name of 2-bromo-5-methyl-4-phenoxyaniline (CID 134607216) is 2-bromo-5-methyl-4-phenoxyaniline.
What is the SMILES notation for 2-bromo-5-methyl-4-phenoxyaniline?
The canonical SMILES for 2-bromo-5-methyl-4-phenoxyaniline is Cc1cc(N)c(Br)cc1Oc1ccccc1.
What is the InChIKey of 2-bromo-5-methyl-4-phenoxyaniline?
The InChIKey is CPGBMVOENPUQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-9-7-12(15)11(14)8-13(9)16-10-5-3-2-4-6-10/h2-8H,15H2,1H3.
What are the key properties of 2-bromo-5-methyl-4-phenoxyaniline?
2-bromo-5-methyl-4-phenoxyaniline 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 2-bromo-5-methyl-4-phenoxyaniline is sourced from PubChem (CID 134607216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).