2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol

C12H18Br2N2O — CID 107740697

IUPAC2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol
SMILESCC(CNCc1cc(Br)c(O)c(Br)c1)N(C)C
InChIInChI=1S/C12H18Br2N2O/c1-8(16(2)3)6-15-7-9-4-10(13)12(17)11(14)5-9/h4-5,8,15,17H,6-7H2,1-3H3
InChIKeyXPSGUDGPBBENEO-UHFFFAOYSA-N
MW366.10 g/mol
LogP2.96
Rot. Bonds5

About 2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol

2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol (PubChem CID 107740697) has the molecular formula C12H18Br2N2O and a molecular weight of 366.10 g/mol. Its IUPAC name is 2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol
PubChem CID107740697
Molecular FormulaC12H18Br2N2O
Molecular Weight366.10 g/mol
Exact Mass363.98
IUPAC Name2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol
SMILESCC(CNCc1cc(Br)c(O)c(Br)c1)N(C)C
InChIInChI=1S/C12H18Br2N2O/c1-8(16(2)3)6-15-7-9-4-10(13)12(17)11(14)5-9/h4-5,8,15,17H,6-7H2,1-3H3
InChIKeyXPSGUDGPBBENEO-UHFFFAOYSA-N
XLogP2.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dibromo-4-[(2,3-dimethylbutylamino)methyl]phenol
CID 107740831
2,6-dibromo-4-[(2-methoxypropylamino)methyl]phenol
CID 107741128
1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 103581679
2,6-dibromo-4-[(2-ethylhexylamino)methyl]phenol
CID 103602726
1-N-[(5-bromo-3-pyridinyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 104796853
4-[[2-(dimethylamino)propylamino]methyl]-2-fluorophenol
CID 107685688
2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 61044403
2,6-dibromo-4-[[butan-2-yl(methyl)amino]methyl]phenol
CID 107740214
2,6-dibromo-4-[(3-propan-2-yloxypropylamino)methyl]phenol
CID 113218805
2,6-dibromo-4-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]phenol
CID 107740849
2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 107740485
1-N-[(4-tert-butylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913292

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol (CID 107740697) is 2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol is CC(CNCc1cc(Br)c(O)c(Br)c1)N(C)C.
What is the InChIKey of 2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol?
The InChIKey is XPSGUDGPBBENEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O/c1-8(16(2)3)6-15-7-9-4-10(13)12(17)11(14)5-9/h4-5,8,15,17H,6-7H2,1-3H3.
What are the key properties of 2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol?
2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol has a molecular weight of 366.10 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[2-(dimethylamino)propylamino]methyl]phenol is sourced from PubChem (CID 107740697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).