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

C15H18N2O2 — CID 43202313

IUPAC4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol
SMILESCOc1ccc(O)c(CNC(C)c2ccncc2)c1
InChIInChI=1S/C15H18N2O2/c1-11(12-5-7-16-8-6-12)17-10-13-9-14(19-2)3-4-15(13)18/h3-9,11,17-18H,10H2,1-2H3
InChIKeyQRKYCFXGHFEFRQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.65
Rot. Bonds5

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

4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol (PubChem CID 43202313) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol
PubChem CID43202313
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol
SMILESCOc1ccc(O)c(CNC(C)c2ccncc2)c1
InChIInChI=1S/C15H18N2O2/c1-11(12-5-7-16-8-6-12)17-10-13-9-14(19-2)3-4-15(13)18/h3-9,11,17-18H,10H2,1-2H3
InChIKeyQRKYCFXGHFEFRQ-UHFFFAOYSA-N
XLogP2.65
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.65
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

4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28656129
4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol
CID 103923964
2-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
CID 81371547
4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]benzene-1,2,3-triol
CID 107730940
N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181021
2-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]-4-methoxyphenol
CID 79254235
4-methoxy-2-[(pentan-3-ylamino)methyl]phenol
CID 28611091
2-[(2-hydroxy-5-methoxyphenyl)methylamino]propane-1,3-diol
CID 65310161
4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 107737946
2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-4-methoxyphenol
CID 43737388
2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 28644929

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol?
The IUPAC name of 4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol (CID 43202313) is 4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol?
The canonical SMILES for 4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol is COc1ccc(O)c(CNC(C)c2ccncc2)c1.
What is the InChIKey of 4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol?
The InChIKey is QRKYCFXGHFEFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(12-5-7-16-8-6-12)17-10-13-9-14(19-2)3-4-15(13)18/h3-9,11,17-18H,10H2,1-2H3.
What are the key properties of 4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol?
4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol is sourced from PubChem (CID 43202313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).