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

C16H20N2O2 — CID 114698563

IUPAC2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
SMILESCCOc1cccc(CNCc2ccncc2C)c1O
InChIInChI=1S/C16H20N2O2/c1-3-20-15-6-4-5-14(16(15)19)11-18-10-13-7-8-17-9-12(13)2/h4-9,18-19H,3,10-11H2,1-2H3
InChIKeyGANSYOKGGCSGQF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.78
Rot. Bonds6

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

2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol (PubChem CID 114698563) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
PubChem CID114698563
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
SMILESCCOc1cccc(CNCc2ccncc2C)c1O
InChIInChI=1S/C16H20N2O2/c1-3-20-15-6-4-5-14(16(15)19)11-18-10-13-7-8-17-9-12(13)2/h4-9,18-19H,3,10-11H2,1-2H3
InChIKeyGANSYOKGGCSGQF-UHFFFAOYSA-N
XLogP2.78
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.78
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-[(pyridin-4-ylmethylamino)methyl]phenol
CID 28669757
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-6-ethoxyphenol
CID 103859268
2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol
CID 62733708
2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
CID 63237468
3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine
CID 114698392
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol
CID 61459821
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081
2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 62732395
2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol
CID 63329108
3-[(3-ethoxy-2-hydroxyphenyl)methylamino]propane-1,2-diol
CID 66174868

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol (CID 114698563) is 2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol is CCOc1cccc(CNCc2ccncc2C)c1O.
What is the InChIKey of 2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol?
The InChIKey is GANSYOKGGCSGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-20-15-6-4-5-14(16(15)19)11-18-10-13-7-8-17-9-12(13)2/h4-9,18-19H,3,10-11H2,1-2H3.
What are the key properties of 2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol?
2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol has a molecular weight of 272.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol is sourced from PubChem (CID 114698563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).