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

C14H13Br2NO2 — CID 107741111

IUPAC2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol
SMILESOc1ccccc1CNCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H13Br2NO2/c15-11-5-9(6-12(16)14(11)19)7-17-8-10-3-1-2-4-13(10)18/h1-6,17-19H,7-8H2
InChIKeyGULFANBZTMEDDR-UHFFFAOYSA-N
MW387.07 g/mol
LogP3.91
Rot. Bonds4

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

2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol (PubChem CID 107741111) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is 2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol
PubChem CID107741111
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol
SMILESOc1ccccc1CNCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H13Br2NO2/c15-11-5-9(6-12(16)14(11)19)7-17-8-10-3-1-2-4-13(10)18/h1-6,17-19H,7-8H2
InChIKeyGULFANBZTMEDDR-UHFFFAOYSA-N
XLogP3.91
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 107740485
2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]phenol
CID 103581659
2-[(benzylamino)methyl]phenol chloride
CID 53350489
2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol
CID 29292955
3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 114331529
2,6-dibromo-4-[(furan-3-ylmethylamino)methyl]phenol
CID 113224538
2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol
CID 107741125
2,6-dibromo-4-[[(3-hydroxy-5-phenylpentyl)amino]methyl]phenol
CID 167774945
2-[[(4-bromo-3-nitrophenyl)methylamino]methyl]phenol
CID 115603398
2,6-dibromo-4-[(2-phenylsulfanylethylamino)methyl]phenol
CID 103603306
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868
2,6-dibromo-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 106038492

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol (CID 107741111) is 2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol is Oc1ccccc1CNCc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol?
The InChIKey is GULFANBZTMEDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2/c15-11-5-9(6-12(16)14(11)19)7-17-8-10-3-1-2-4-13(10)18/h1-6,17-19H,7-8H2.
What are the key properties of 2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol?
2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol has a molecular weight of 387.07 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 107741111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).