4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol

C15H18N2O2 — CID 28656129

IUPAC4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
SMILESCOc1ccc(O)c(CN[C@H](C)c2cccnc2)c1
InChIInChI=1S/C15H18N2O2/c1-11(12-4-3-7-16-9-12)17-10-13-8-14(19-2)5-6-15(13)18/h3-9,11,17-18H,10H2,1-2H3/t11-/m1/s1
InChIKeyUUETWRXORKOBOL-LLVKDONJSA-N
MW258.32 g/mol
LogP2.65
Rot. Bonds5

About 4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol

4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol (PubChem CID 28656129) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
PubChem CID28656129
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
SMILESCOc1ccc(O)c(CN[C@H](C)c2cccnc2)c1
InChIInChI=1S/C15H18N2O2/c1-11(12-4-3-7-16-9-12)17-10-13-8-14(19-2)5-6-15(13)18/h3-9,11,17-18H,10H2,1-2H3/t11-/m1/s1
InChIKeyUUETWRXORKOBOL-LLVKDONJSA-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-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202313
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
4-phenyl-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 95296775
4-methoxy-2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]phenol
CID 103923964
4-bromo-2-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 107737946
2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28655237
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 78950918
2-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
CID 81371547
2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 112553988
2-[[[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
CID 95567478
2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 43181668
2-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]-4-methoxyphenol
CID 79254235

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol (CID 28656129) is 4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol is COc1ccc(O)c(CN[C@H](C)c2cccnc2)c1.
What is the InChIKey of 4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol?
The InChIKey is UUETWRXORKOBOL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(12-4-3-7-16-9-12)17-10-13-8-14(19-2)5-6-15(13)18/h3-9,11,17-18H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol?
4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]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-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol is sourced from PubChem (CID 28656129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).