2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol

C18H23NO2 — CID 12536602

IUPAC2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(CNCc2cc(C)cc(C)c2O)c1
InChIInChI=1S/C18H23NO2/c1-11-5-13(3)17(20)15(7-11)9-19-10-16-8-12(2)6-14(4)18(16)21/h5-8,19-21H,9-10H2,1-4H3
InChIKeyBPDCFBLYJYVZKR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.62
Rot. Bonds4

About 2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol

2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol (PubChem CID 12536602) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol
PubChem CID12536602
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(CNCc2cc(C)cc(C)c2O)c1
InChIInChI=1S/C18H23NO2/c1-11-5-13(3)17(20)15(7-11)9-19-10-16-8-12(2)6-14(4)18(16)21/h5-8,19-21H,9-10H2,1-4H3
InChIKeyBPDCFBLYJYVZKR-UHFFFAOYSA-N
XLogP3.62
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol?
The IUPAC name of 2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol (CID 12536602) is 2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(CNCc2cc(C)cc(C)c2O)c1.
What is the InChIKey of 2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol?
The InChIKey is BPDCFBLYJYVZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-11-5-13(3)17(20)15(7-11)9-19-10-16-8-12(2)6-14(4)18(16)21/h5-8,19-21H,9-10H2,1-4H3.
What are the key properties of 2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol?
2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol has a molecular weight of 285.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-3,5-dimethylphenyl)methylamino]methyl]-4,6-dimethylphenol is sourced from PubChem (CID 12536602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).