4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol

C11H19N3O — CID 153328752

IUPAC4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol
SMILESCN(C)CCNCc1cc(N)ccc1O
InChIInChI=1S/C11H19N3O/c1-14(2)6-5-13-8-9-7-10(12)3-4-11(9)15/h3-4,7,13,15H,5-6,8,12H2,1-2H3
InChIKeyXIRGINSBFYVCIS-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.63
Rot. Bonds5

About 4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol

4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol (PubChem CID 153328752) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol
PubChem CID153328752
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol
SMILESCN(C)CCNCc1cc(N)ccc1O
InChIInChI=1S/C11H19N3O/c1-14(2)6-5-13-8-9-7-10(12)3-4-11(9)15/h3-4,7,13,15H,5-6,8,12H2,1-2H3
InChIKeyXIRGINSBFYVCIS-UHFFFAOYSA-N
XLogP0.63
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[[2-(dimethylamino)ethylamino]methyl]phenol?
The IUPAC name of 4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol (CID 153328752) is 4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol.
What is the SMILES notation for 4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol?
The canonical SMILES for 4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol is CN(C)CCNCc1cc(N)ccc1O.
What is the InChIKey of 4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol?
The InChIKey is XIRGINSBFYVCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14(2)6-5-13-8-9-7-10(12)3-4-11(9)15/h3-4,7,13,15H,5-6,8,12H2,1-2H3.
What are the key properties of 4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol?
4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol has a molecular weight of 209.29 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[2-(dimethylamino)ethylamino]methyl]phenol is sourced from PubChem (CID 153328752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).