2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol

C15H18N2O2 — CID 28669757

IUPAC2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol
SMILESCCOc1cccc(CNCc2ccncc2)c1O
InChIInChI=1S/C15H18N2O2/c1-2-19-14-5-3-4-13(15(14)18)11-17-10-12-6-8-16-9-7-12/h3-9,17-18H,2,10-11H2,1H3
InChIKeyARYKMIZBVOSLFZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.48
Rot. Bonds6

About 2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol

2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol (PubChem CID 28669757) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol
PubChem CID28669757
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol
SMILESCCOc1cccc(CNCc2ccncc2)c1O
InChIInChI=1S/C15H18N2O2/c1-2-19-14-5-3-4-13(15(14)18)11-17-10-12-6-8-16-9-7-12/h3-9,17-18H,2,10-11H2,1H3
InChIKeyARYKMIZBVOSLFZ-UHFFFAOYSA-N
XLogP2.48
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol
CID 62733708
2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698563
4-[[(3-ethoxy-2-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60918198
2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
CID 63237468
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
N-[[3-ethoxy-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 17212648
2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol
CID 114941057
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol
CID 54943974
2-ethoxy-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61238543
2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol
CID 61459821
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol
CID 103859268

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol (CID 28669757) is 2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol is CCOc1cccc(CNCc2ccncc2)c1O.
What is the InChIKey of 2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol?
The InChIKey is ARYKMIZBVOSLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-19-14-5-3-4-13(15(14)18)11-17-10-12-6-8-16-9-7-12/h3-9,17-18H,2,10-11H2,1H3.
What are the key properties of 2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol?
2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol is sourced from PubChem (CID 28669757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).