4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol

C13H19NO2 — CID 82983002

IUPAC4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
SMILESCc1ccc(O)c(CN(C)C2CCOC2)c1
InChIInChI=1S/C13H19NO2/c1-10-3-4-13(15)11(7-10)8-14(2)12-5-6-16-9-12/h3-4,7,12,15H,5-6,8-9H2,1-2H3
InChIKeyZTWMJDWDIWXQLL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.92
Rot. Bonds3

About 4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol

4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol (PubChem CID 82983002) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
PubChem CID82983002
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
SMILESCc1ccc(O)c(CN(C)C2CCOC2)c1
InChIInChI=1S/C13H19NO2/c1-10-3-4-13(15)11(7-10)8-14(2)12-5-6-16-9-12/h3-4,7,12,15H,5-6,8-9H2,1-2H3
InChIKeyZTWMJDWDIWXQLL-UHFFFAOYSA-N
XLogP1.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
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 4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol (CID 82983002) is 4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol is Cc1ccc(O)c(CN(C)C2CCOC2)c1.
What is the InChIKey of 4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol?
The InChIKey is ZTWMJDWDIWXQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-3-4-13(15)11(7-10)8-14(2)12-5-6-16-9-12/h3-4,7,12,15H,5-6,8-9H2,1-2H3.
What are the key properties of 4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol?
4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl(oxolan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 82983002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).