2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol

C15H15BrFNO — CID 63324955

IUPAC2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCc2cc(Br)ccc2F)c1
InChIInChI=1S/C15H15BrFNO/c1-10-2-5-15(19)12(6-10)9-18-8-11-7-13(16)3-4-14(11)17/h2-7,18-19H,8-9H2,1H3
InChIKeyOZQDFRDNCODBMQ-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.89
Rot. Bonds4

About 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol

2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol (PubChem CID 63324955) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol
PubChem CID63324955
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCc2cc(Br)ccc2F)c1
InChIInChI=1S/C15H15BrFNO/c1-10-2-5-15(19)12(6-10)9-18-8-11-7-13(16)3-4-14(11)17/h2-7,18-19H,8-9H2,1H3
InChIKeyOZQDFRDNCODBMQ-UHFFFAOYSA-N
XLogP3.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol
CID 103948044
2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol
CID 63323686
4-[[(5-bromo-2-fluorophenyl)methylamino]methyl]benzene-1,3-diol
CID 61299654
2-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-4-methylphenol
CID 63324433
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylphenol
CID 63325573
1-(5-bromo-2-fluorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 63453864
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657
1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine
CID 115260847
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-bromo-3-methylphenyl)methanamine
CID 66472819
4-bromo-2-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol
CID 103700725
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol?
The IUPAC name of 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol (CID 63324955) is 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol is Cc1ccc(O)c(CNCc2cc(Br)ccc2F)c1.
What is the InChIKey of 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol?
The InChIKey is OZQDFRDNCODBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-2-5-15(19)12(6-10)9-18-8-11-7-13(16)3-4-14(11)17/h2-7,18-19H,8-9H2,1H3.
What are the key properties of 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol?
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol has a molecular weight of 324.19 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol is sourced from PubChem (CID 63324955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).