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

C14H12BrF2NO — CID 103948044

IUPAC2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol
SMILESOc1ccc(F)cc1CNCc1cc(Br)ccc1F
InChIInChI=1S/C14H12BrF2NO/c15-11-1-3-13(17)9(5-11)7-18-8-10-6-12(16)2-4-14(10)19/h1-6,18-19H,7-8H2
InChIKeyVAHPRBKCXWKTSD-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.72
Rot. Bonds4

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

2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol (PubChem CID 103948044) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol
PubChem CID103948044
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol
SMILESOc1ccc(F)cc1CNCc1cc(Br)ccc1F
InChIInChI=1S/C14H12BrF2NO/c15-11-1-3-13(17)9(5-11)7-18-8-10-6-12(16)2-4-14(10)19/h1-6,18-19H,7-8H2
InChIKeyVAHPRBKCXWKTSD-UHFFFAOYSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylphenol
CID 63324955
4-[[(5-bromo-2-fluorophenyl)methylamino]methyl]benzene-1,3-diol
CID 61299654
N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 61301011
1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine
CID 115260847
2-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-4-methylphenol
CID 63324433
2-[[(5-bromothiophen-2-yl)methylamino]methyl]-4-fluorophenol
CID 113356869
4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 45029997
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol
CID 103947747
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine
CID 61301397
2-[(3-aminopropylamino)methyl]-4-fluorophenol
CID 102672647

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol?
The IUPAC name of 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol (CID 103948044) is 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol.
What is the SMILES notation for 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol?
The canonical SMILES for 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol is Oc1ccc(F)cc1CNCc1cc(Br)ccc1F.
What is the InChIKey of 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol?
The InChIKey is VAHPRBKCXWKTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-11-1-3-13(17)9(5-11)7-18-8-10-6-12(16)2-4-14(10)19/h1-6,18-19H,7-8H2.
What are the key properties of 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol?
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol has a molecular weight of 328.16 g/mol, XLogP of 3.72, 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-fluorophenol is sourced from PubChem (CID 103948044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).