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

C12H18N2O2 — CID 82732035

IUPAC4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
SMILESCN(Cc1cc(N)ccc1O)C1CCOC1
InChIInChI=1S/C12H18N2O2/c1-14(11-4-5-16-8-11)7-9-6-10(13)2-3-12(9)15/h2-3,6,11,15H,4-5,7-8,13H2,1H3
InChIKeyIIOQCJWBSJBOMA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.20
Rot. Bonds3

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

4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol (PubChem CID 82732035) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
PubChem CID82732035
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol
SMILESCN(Cc1cc(N)ccc1O)C1CCOC1
InChIInChI=1S/C12H18N2O2/c1-14(11-4-5-16-8-11)7-9-6-10(13)2-3-12(9)15/h2-3,6,11,15H,4-5,7-8,13H2,1H3
InChIKeyIIOQCJWBSJBOMA-UHFFFAOYSA-N
XLogP1.20
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol?
The IUPAC name of 4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol (CID 82732035) is 4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol is CN(Cc1cc(N)ccc1O)C1CCOC1.
What is the InChIKey of 4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol?
The InChIKey is IIOQCJWBSJBOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(11-4-5-16-8-11)7-9-6-10(13)2-3-12(9)15/h2-3,6,11,15H,4-5,7-8,13H2,1H3.
What are the key properties of 4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol?
4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol has a molecular weight of 222.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[methyl(oxolan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 82732035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).