5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol

C15H18N2O2 — CID 55203662

IUPAC5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCc2ncccc2C)c(O)c1
InChIInChI=1S/C15H18N2O2/c1-11-4-3-7-17-14(11)10-16-9-12-5-6-13(19-2)8-15(12)18/h3-8,16,18H,9-10H2,1-2H3
InChIKeyYKTXNTMBPMUMAN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.39
Rot. Bonds5

About 5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol

5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol (PubChem CID 55203662) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol
PubChem CID55203662
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCc2ncccc2C)c(O)c1
InChIInChI=1S/C15H18N2O2/c1-11-4-3-7-17-14(11)10-16-9-12-5-6-13(19-2)8-15(12)18/h3-8,16,18H,9-10H2,1-2H3
InChIKeyYKTXNTMBPMUMAN-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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

5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 61262143
3-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzene-1,2-diol
CID 63305798
2-hydroxy-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309154
4-methoxy-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 63305945
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 61261961
4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 54926945
1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305768
1-(3,5-dibromo-2-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305426
2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]-5-methoxyphenol
CID 61263441
5-methoxy-2-[(quinolin-8-ylamino)methyl]phenol
CID 61268574

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol (CID 55203662) is 5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol is COc1ccc(CNCc2ncccc2C)c(O)c1.
What is the InChIKey of 5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol?
The InChIKey is YKTXNTMBPMUMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-4-3-7-17-14(11)10-16-9-12-5-6-13(19-2)8-15(12)18/h3-8,16,18H,9-10H2,1-2H3.
What are the key properties of 5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol?
5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol is sourced from PubChem (CID 55203662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).