5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline

C14H12BrF2NO — CID 103483039

IUPAC5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline
SMILESCc1cc(F)ccc1COc1cc(F)c(Br)cc1N
InChIInChI=1S/C14H12BrF2NO/c1-8-4-10(16)3-2-9(8)7-19-14-6-12(17)11(15)5-13(14)18/h2-6H,7,18H2,1H3
InChIKeyVCVLPBAFYONNTP-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.20
Rot. Bonds3

About 5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline

5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline (PubChem CID 103483039) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline
PubChem CID103483039
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline
SMILESCc1cc(F)ccc1COc1cc(F)c(Br)cc1N
InChIInChI=1S/C14H12BrF2NO/c1-8-4-10(16)3-2-9(8)7-19-14-6-12(17)11(15)5-13(14)18/h2-6H,7,18H2,1H3
InChIKeyVCVLPBAFYONNTP-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.20
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-chlorophenyl)methoxy]-4-fluoroaniline
CID 103482999
5-bromo-4-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]aniline
CID 103483032
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline
CID 103482967
3-[(4-fluoro-2-methylphenyl)methoxy]pyridin-2-amine
CID 114345632
5-bromo-4-fluoro-2-(thiophen-2-ylmethoxy)aniline
CID 66110973
2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589078
5-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile
CID 114345639
2-bromo-3-[(5-fluoro-2-methylphenoxy)methyl]aniline
CID 114048616
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
5-bromo-4-fluoro-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]aniline
CID 103482976
2-(1,3-benzodioxol-5-ylmethoxy)-5-bromo-4-fluoroaniline
CID 66111745

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline?
The IUPAC name of 5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline (CID 103483039) is 5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline?
The canonical SMILES for 5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline is Cc1cc(F)ccc1COc1cc(F)c(Br)cc1N.
What is the InChIKey of 5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline?
The InChIKey is VCVLPBAFYONNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-8-4-10(16)3-2-9(8)7-19-14-6-12(17)11(15)5-13(14)18/h2-6H,7,18H2,1H3.
What are the key properties of 5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline?
5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline has a molecular weight of 328.16 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline is sourced from PubChem (CID 103483039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).