3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol

C15H17NO2 — CID 43741748

IUPAC3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2ccccc2O)c(C)c1O
InChIInChI=1S/C15H17NO2/c1-10-7-8-13(11(2)15(10)18)16-9-12-5-3-4-6-14(12)17/h3-8,16-18H,9H2,1-2H3
InChIKeyUWTQHHXXELZIAN-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.33
Rot. Bonds3

About 3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol

3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol (PubChem CID 43741748) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
PubChem CID43741748
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2ccccc2O)c(C)c1O
InChIInChI=1S/C15H17NO2/c1-10-7-8-13(11(2)15(10)18)16-9-12-5-3-4-6-14(12)17/h3-8,16-18H,9H2,1-2H3
InChIKeyUWTQHHXXELZIAN-UHFFFAOYSA-N
XLogP3.33
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.33
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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Related Compounds

3-[(2-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 62392114
3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 61391803
methyl 2-[(3-hydroxy-2,4-dimethylanilino)methyl]benzoate
CID 43790151
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047
2-[(2-methylanilino)methyl]phenol
CID 3240149
3-(ethylamino)-2,6-dimethylphenol
CID 43741904
3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol
CID 43741707
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2,6-dimethylphenol
CID 80650501
3-[(4-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 43741705
3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol
CID 43790197
2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol
CID 43741704
3-[(2-methylanilino)methyl]benzene-1,2-diol
CID 61320102

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol (CID 43741748) is 3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol is Cc1ccc(NCc2ccccc2O)c(C)c1O.
What is the InChIKey of 3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol?
The InChIKey is UWTQHHXXELZIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-7-8-13(11(2)15(10)18)16-9-12-5-3-4-6-14(12)17/h3-8,16-18H,9H2,1-2H3.
What are the key properties of 3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol?
3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol has a molecular weight of 243.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol is sourced from PubChem (CID 43741748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).