2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol

C14H14Br2N2O — CID 107741125

IUPAC2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol
SMILESCc1ccncc1CNCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H14Br2N2O/c1-9-2-3-17-7-11(9)8-18-6-10-4-12(15)14(19)13(16)5-10/h2-5,7,18-19H,6,8H2,1H3
InChIKeyCLMXATZRAZEFGR-UHFFFAOYSA-N
MW386.09 g/mol
LogP3.91
Rot. Bonds4

About 2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol

2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol (PubChem CID 107741125) has the molecular formula C14H14Br2N2O and a molecular weight of 386.09 g/mol. Its IUPAC name is 2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol
PubChem CID107741125
Molecular FormulaC14H14Br2N2O
Molecular Weight386.09 g/mol
Exact Mass383.95
IUPAC Name2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol
SMILESCc1ccncc1CNCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H14Br2N2O/c1-9-2-3-17-7-11(9)8-18-6-10-4-12(15)14(19)13(16)5-10/h2-5,7,18-19H,6,8H2,1H3
InChIKeyCLMXATZRAZEFGR-UHFFFAOYSA-N
XLogP3.91
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.09
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 114954745
2,6-dibromo-4-[[(2-hydroxyphenyl)methylamino]methyl]phenol
CID 107741111
2,6-dibromo-4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 106038492
1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954748
2-fluoro-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzoic acid
CID 106700569
1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954865
2,6-dibromo-4-[[(4-bromophenyl)methylamino]methyl]phenol
CID 107740485
N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 114955119
4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 114955437
1-(5-bromo-2-nitrophenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114955009
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954973
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol (CID 107741125) is 2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol is Cc1ccncc1CNCc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol?
The InChIKey is CLMXATZRAZEFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O/c1-9-2-3-17-7-11(9)8-18-6-10-4-12(15)14(19)13(16)5-10/h2-5,7,18-19H,6,8H2,1H3.
What are the key properties of 2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol?
2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol has a molecular weight of 386.09 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[[(4-methyl-3-pyridinyl)methylamino]methyl]phenol is sourced from PubChem (CID 107741125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).