4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol

C14H13BrFNO — CID 66473251

IUPAC4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol
SMILESCc1cc(CNc2ccc(O)c(F)c2)ccc1Br
InChIInChI=1S/C14H13BrFNO/c1-9-6-10(2-4-12(9)15)8-17-11-3-5-14(18)13(16)7-11/h2-7,17-18H,8H2,1H3
InChIKeyCSBASVCTGXLVJW-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.21
Rot. Bonds3

About 4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol

4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol (PubChem CID 66473251) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol.

Molecular Properties

Compound Name4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol
PubChem CID66473251
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol
SMILESCc1cc(CNc2ccc(O)c(F)c2)ccc1Br
InChIInChI=1S/C14H13BrFNO/c1-9-6-10(2-4-12(9)15)8-17-11-3-5-14(18)13(16)7-11/h2-7,17-18H,8H2,1H3
InChIKeyCSBASVCTGXLVJW-UHFFFAOYSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378
4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylaniline
CID 63645668
4-[(3-bromo-4-fluoroanilino)methyl]-2-fluorophenol
CID 107686001
5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide
CID 66474208
4-[(4-bromo-3-nitrophenyl)methylamino]-2-fluorophenol
CID 64794278
5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzonitrile
CID 66473027
2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol
CID 107685847
N-[(4-bromo-3-methylphenyl)methyl]-4-methylsulfanylaniline
CID 66472574
2,6-dibromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 107740455
4-[(2,6-dibromo-4-methylanilino)methyl]-2-fluorophenol
CID 107685346
N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
CID 66475011
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol?
The IUPAC name of 4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol (CID 66473251) is 4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol.
What is the SMILES notation for 4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol?
The canonical SMILES for 4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol is Cc1cc(CNc2ccc(O)c(F)c2)ccc1Br.
What is the InChIKey of 4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol?
The InChIKey is CSBASVCTGXLVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-6-10(2-4-12(9)15)8-17-11-3-5-14(18)13(16)7-11/h2-7,17-18H,8H2,1H3.
What are the key properties of 4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol?
4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol has a molecular weight of 310.17 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol is sourced from PubChem (CID 66473251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).