4-[[methyl(methylamino)amino]methyl]phenol

C9H14N2O — CID 152516052

IUPAC4-[[methyl(methylamino)amino]methyl]phenol
SMILESCNN(C)Cc1ccc(O)cc1
InChIInChI=1S/C9H14N2O/c1-10-11(2)7-8-3-5-9(12)6-4-8/h3-6,10,12H,7H2,1-2H3
InChIKeyYGNJPOSOQDDSBM-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.96
Rot. Bonds3

About 4-[[methyl(methylamino)amino]methyl]phenol

4-[[methyl(methylamino)amino]methyl]phenol (PubChem CID 152516052) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-[[methyl(methylamino)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[methyl(methylamino)amino]methyl]phenol
PubChem CID152516052
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-[[methyl(methylamino)amino]methyl]phenol
SMILESCNN(C)Cc1ccc(O)cc1
InChIInChI=1S/C9H14N2O/c1-10-11(2)7-8-3-5-9(12)6-4-8/h3-6,10,12H,7H2,1-2H3
InChIKeyYGNJPOSOQDDSBM-UHFFFAOYSA-N
XLogP0.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(methylamino)amino]methyl]phenol?
The IUPAC name of 4-[[methyl(methylamino)amino]methyl]phenol (CID 152516052) is 4-[[methyl(methylamino)amino]methyl]phenol.
What is the SMILES notation for 4-[[methyl(methylamino)amino]methyl]phenol?
The canonical SMILES for 4-[[methyl(methylamino)amino]methyl]phenol is CNN(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[[methyl(methylamino)amino]methyl]phenol?
The InChIKey is YGNJPOSOQDDSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-10-11(2)7-8-3-5-9(12)6-4-8/h3-6,10,12H,7H2,1-2H3.
What are the key properties of 4-[[methyl(methylamino)amino]methyl]phenol?
4-[[methyl(methylamino)amino]methyl]phenol has a molecular weight of 166.22 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(methylamino)amino]methyl]phenol is sourced from PubChem (CID 152516052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).