2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol

C15H17BrN2O2 — CID 43181283

IUPAC2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol
SMILESCOc1cc(CNC(C)c2ccccn2)cc(Br)c1O
InChIInChI=1S/C15H17BrN2O2/c1-10(13-5-3-4-6-17-13)18-9-11-7-12(16)15(19)14(8-11)20-2/h3-8,10,18-19H,9H2,1-2H3
InChIKeyRUKIKBJXLSLQMX-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.41
Rot. Bonds5

About 2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol

2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol (PubChem CID 43181283) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol
PubChem CID43181283
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol
SMILESCOc1cc(CNC(C)c2ccccn2)cc(Br)c1O
InChIInChI=1S/C15H17BrN2O2/c1-10(13-5-3-4-6-17-13)18-9-11-7-12(16)15(19)14(8-11)20-2/h3-8,10,18-19H,9H2,1-2H3
InChIKeyRUKIKBJXLSLQMX-UHFFFAOYSA-N
XLogP3.41
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol (CID 43181283) is 2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol is COc1cc(CNC(C)c2ccccn2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol?
The InChIKey is RUKIKBJXLSLQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10(13-5-3-4-6-17-13)18-9-11-7-12(16)15(19)14(8-11)20-2/h3-8,10,18-19H,9H2,1-2H3.
What are the key properties of 2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol?
2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol has a molecular weight of 337.22 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(1-pyridin-2-ylethylamino)methyl]phenol is sourced from PubChem (CID 43181283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).