2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol

C14H12Br3NO — CID 107740485

IUPAC2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
SMILESOc1c(Br)cc(CNCc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C14H12Br3NO/c15-11-3-1-9(2-4-11)7-18-8-10-5-12(16)14(19)13(17)6-10/h1-6,18-19H,7-8H2
InChIKeyRDPOGAUTSCXKQG-UHFFFAOYSA-N
MW449.97 g/mol
LogP4.97
Rot. Bonds4

About 2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol

2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol (PubChem CID 107740485) has the molecular formula C14H12Br3NO and a molecular weight of 449.97 g/mol. Its IUPAC name is 2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
PubChem CID107740485
Molecular FormulaC14H12Br3NO
Molecular Weight449.97 g/mol
Exact Mass446.85
IUPAC Name2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
SMILESOc1c(Br)cc(CNCc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C14H12Br3NO/c15-11-3-1-9(2-4-11)7-18-8-10-5-12(16)14(19)13(17)6-10/h1-6,18-19H,7-8H2
InChIKeyRDPOGAUTSCXKQG-UHFFFAOYSA-N
XLogP4.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.97
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol 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-bromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 63044819
2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol
CID 107741111
2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol
CID 113224538
4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol
CID 115603288
1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 834417
2,6-dibromo-4-[(3-methylsulfonylpropylamino)methyl]phenol
CID 107740696
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
2-[[(4-bromophenyl)methylamino]methyl]-4-methylphenol
CID 63323686
[4-[[(3,4-dibromophenyl)methylamino]methyl]phenyl]methanol
CID 107229828
2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol
CID 107740831
2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol
CID 107741125
2-[(4-bromophenyl)methylamino]ethanol;hydrochloride
CID 2950588

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol (CID 107740485) is 2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol is Oc1c(Br)cc(CNCc2ccc(Br)cc2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol?
The InChIKey is RDPOGAUTSCXKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3NO/c15-11-3-1-9(2-4-11)7-18-8-10-5-12(16)14(19)13(17)6-10/h1-6,18-19H,7-8H2.
What are the key properties of 2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol?
2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol has a molecular weight of 449.97 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol is sourced from PubChem (CID 107740485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).