2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol

C16H19BrN2O2 — CID 23739536

IUPAC2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
SMILESCOc1cc(CN(C)CCc2ccccn2)cc(Br)c1O
InChIInChI=1S/C16H19BrN2O2/c1-19(8-6-13-5-3-4-7-18-13)11-12-9-14(17)16(20)15(10-12)21-2/h3-5,7,9-10,20H,6,8,11H2,1-2H3
InChIKeyWNVGCIAGMDMXGB-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.23
Rot. Bonds6

About 2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol

2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol (PubChem CID 23739536) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
PubChem CID23739536
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
SMILESCOc1cc(CN(C)CCc2ccccn2)cc(Br)c1O
InChIInChI=1S/C16H19BrN2O2/c1-19(8-6-13-5-3-4-7-18-13)11-12-9-14(17)16(20)15(10-12)21-2/h3-5,7,9-10,20H,6,8,11H2,1-2H3
InChIKeyWNVGCIAGMDMXGB-UHFFFAOYSA-N
XLogP3.23
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol (CID 23739536) is 2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol is COc1cc(CN(C)CCc2ccccn2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol?
The InChIKey is WNVGCIAGMDMXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-19(8-6-13-5-3-4-7-18-13)11-12-9-14(17)16(20)15(10-12)21-2/h3-5,7,9-10,20H,6,8,11H2,1-2H3.
What are the key properties of 2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol?
2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol has a molecular weight of 351.24 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol is sourced from PubChem (CID 23739536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).