4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol

C14H12Br2FNO — CID 107685346

IUPAC4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol
SMILESCc1cc(Br)c(NCc2ccc(O)c(F)c2)c(Br)c1
InChIInChI=1S/C14H12Br2FNO/c1-8-4-10(15)14(11(16)5-8)18-7-9-2-3-13(19)12(17)6-9/h2-6,18-19H,7H2,1H3
InChIKeyRXFOVUGEDCDENZ-UHFFFAOYSA-N
MW389.06 g/mol
LogP4.98
Rot. Bonds3

About 4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol

4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol (PubChem CID 107685346) has the molecular formula C14H12Br2FNO and a molecular weight of 389.06 g/mol. Its IUPAC name is 4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol
PubChem CID107685346
Molecular FormulaC14H12Br2FNO
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol
SMILESCc1cc(Br)c(NCc2ccc(O)c(F)c2)c(Br)c1
InChIInChI=1S/C14H12Br2FNO/c1-8-4-10(15)14(11(16)5-8)18-7-9-2-3-13(19)12(17)6-9/h2-6,18-19H,7H2,1H3
InChIKeyRXFOVUGEDCDENZ-UHFFFAOYSA-N
XLogP4.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-N-[(3-bromo-4-fluorophenyl)methyl]-4-methylaniline
CID 28984078
2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol
CID 107685847
4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorobenzoic acid
CID 106699671
4-[(5-bromo-2,4-difluoroanilino)methyl]-2-fluorophenol
CID 107686072
4-[(3-bromo-4-fluoroanilino)methyl]-2-fluorophenol
CID 107686001
4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol
CID 66473251
4-[(2,6-dibromo-4-methylanilino)methyl]benzene-1,3-diol
CID 28984202
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
N-[(3-bromo-4-fluorophenyl)methyl]-2,4,6-trimethylaniline
CID 63448598
2-bromo-4-[(2,3,5,6-tetrafluoroanilino)methyl]phenol
CID 107643664
2,6-dibromo-N-[(3,4-dimethoxyphenyl)methyl]-4-methylaniline
CID 28984269
N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 81436065

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol?
The IUPAC name of 4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol (CID 107685346) is 4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol.
What is the SMILES notation for 4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol?
The canonical SMILES for 4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol is Cc1cc(Br)c(NCc2ccc(O)c(F)c2)c(Br)c1.
What is the InChIKey of 4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol?
The InChIKey is RXFOVUGEDCDENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FNO/c1-8-4-10(15)14(11(16)5-8)18-7-9-2-3-13(19)12(17)6-9/h2-6,18-19H,7H2,1H3.
What are the key properties of 4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol?
4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol has a molecular weight of 389.06 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol is sourced from PubChem (CID 107685346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).