2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole

C13H19N3O — CID 175322910

IUPAC2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole
SMILESCN(C)Cc1ccccc1O.Cc1cnc[nH]1
InChIInChI=1S/C9H13NO.C4H6N2/c1-10(2)7-8-5-3-4-6-9(8)11;1-4-2-5-3-6-4/h3-6,11H,7H2,1-2H3;2-3H,1H3,(H,5,6)
InChIKeyYNWDADDMGZWCMA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.17
Rot. Bonds2

About 2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole

2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole (PubChem CID 175322910) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole
PubChem CID175322910
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole
SMILESCN(C)Cc1ccccc1O.Cc1cnc[nH]1
InChIInChI=1S/C9H13NO.C4H6N2/c1-10(2)7-8-5-3-4-6-9(8)11;1-4-2-5-3-6-4/h3-6,11H,7H2,1-2H3;2-3H,1H3,(H,5,6)
InChIKeyYNWDADDMGZWCMA-UHFFFAOYSA-N
XLogP2.17
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol
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CID 174369266
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2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole?
The IUPAC name of 2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole (CID 175322910) is 2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole.
What is the SMILES notation for 2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole?
The canonical SMILES for 2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole is CN(C)Cc1ccccc1O.Cc1cnc[nH]1.
What is the InChIKey of 2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole?
The InChIKey is YNWDADDMGZWCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C4H6N2/c1-10(2)7-8-5-3-4-6-9(8)11;1-4-2-5-3-6-4/h3-6,11H,7H2,1-2H3;2-3H,1H3,(H,5,6).
What are the key properties of 2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole?
2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole has a molecular weight of 233.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole is sourced from PubChem (CID 175322910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).