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

C15H18N2O2 — CID 54943974

IUPAC2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol
SMILESCOc1cccc(CNCCc2ccncc2)c1O
InChIInChI=1S/C15H18N2O2/c1-19-14-4-2-3-13(15(14)18)11-17-10-7-12-5-8-16-9-6-12/h2-6,8-9,17-18H,7,10-11H2,1H3
InChIKeyALLWRATZNSCAAI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.13
Rot. Bonds6

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

2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol (PubChem CID 54943974) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol
PubChem CID54943974
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol
SMILESCOc1cccc(CNCCc2ccncc2)c1O
InChIInChI=1S/C15H18N2O2/c1-19-14-4-2-3-13(15(14)18)11-17-10-7-12-5-8-16-9-6-12/h2-6,8-9,17-18H,7,10-11H2,1H3
InChIKeyALLWRATZNSCAAI-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol
CID 104646490
3-[(2-hydroxy-3-methoxyphenyl)methylamino]propanenitrile
CID 28728331
2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol
CID 28669757
2-ethoxy-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61238543
2-bromo-6-[[2-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 61390265
2-methoxy-6-[(2-methylsulfinylethylamino)methyl]phenol
CID 115632548
2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol
CID 107267707
2-methoxy-6-[(pent-4-ynylamino)methyl]phenol
CID 103701806
2-methoxy-6-[(5,5,5-trifluoropentylamino)methyl]phenol
CID 115491524
2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 104589124
N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine
CID 43427709
4-chloro-2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 104646102

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol?
The IUPAC name of 2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol (CID 54943974) is 2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol is COc1cccc(CNCCc2ccncc2)c1O.
What is the InChIKey of 2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol?
The InChIKey is ALLWRATZNSCAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-14-4-2-3-13(15(14)18)11-17-10-7-12-5-8-16-9-6-12/h2-6,8-9,17-18H,7,10-11H2,1H3.
What are the key properties of 2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol?
2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(2-pyridin-4-ylethylamino)methyl]phenol is sourced from PubChem (CID 54943974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).