4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol

C15H23NO3 — CID 103902332

IUPAC4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNC(C)C2CCOCC2)c1
InChIInChI=1S/C15H23NO3/c1-11(12-5-7-19-8-6-12)16-10-13-9-14(18-2)3-4-15(13)17/h3-4,9,11-12,16-17H,5-8,10H2,1-2H3
InChIKeyFDHOVMJGGUQABM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.31
Rot. Bonds5

About 4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol

4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol (PubChem CID 103902332) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol
PubChem CID103902332
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNC(C)C2CCOCC2)c1
InChIInChI=1S/C15H23NO3/c1-11(12-5-7-19-8-6-12)16-10-13-9-14(18-2)3-4-15(13)17/h3-4,9,11-12,16-17H,5-8,10H2,1-2H3
InChIKeyFDHOVMJGGUQABM-UHFFFAOYSA-N
XLogP2.31
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.31
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

N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769004
2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103779359
4-methoxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenol
CID 43675654
1-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43400133
5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol
CID 78969051
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
2-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]-4-methoxyphenol
CID 79254235
4-chloro-2-[[[(1S)-1-cycloheptylethyl]amino]methyl]phenol
CID 81389866
4-[[1-(oxolan-3-yl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953590
2-[(2-hydroxy-5-methoxyphenyl)methylamino]propane-1,3-diol
CID 65310161
4-methoxy-2-[(pentan-3-ylamino)methyl]phenol
CID 28611091
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol (CID 103902332) is 4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol is COc1ccc(O)c(CNC(C)C2CCOCC2)c1.
What is the InChIKey of 4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol?
The InChIKey is FDHOVMJGGUQABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(12-5-7-19-8-6-12)16-10-13-9-14(18-2)3-4-15(13)17/h3-4,9,11-12,16-17H,5-8,10H2,1-2H3.
What are the key properties of 4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol?
4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol has a molecular weight of 265.35 g/mol, XLogP of 2.31, 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-(oxan-4-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 103902332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).