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

C11H18N2O — CID 3974624

IUPAC2-[[2-(dimethylamino)ethylamino]methyl]phenol
SMILESCN(C)CCNCc1ccccc1O
InChIInChI=1S/C11H18N2O/c1-13(2)8-7-12-9-10-5-3-4-6-11(10)14/h3-6,12,14H,7-9H2,1-2H3
InChIKeyMKJWJYZYPVDSKG-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.04
Rot. Bonds5

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

2-[[2-(dimethylamino)ethylamino]methyl]phenol (PubChem CID 3974624) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethylamino]methyl]phenol
PubChem CID3974624
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[[2-(dimethylamino)ethylamino]methyl]phenol
SMILESCN(C)CCNCc1ccccc1O
InChIInChI=1S/C11H18N2O/c1-13(2)8-7-12-9-10-5-3-4-6-11(10)14/h3-6,12,14H,7-9H2,1-2H3
InChIKeyMKJWJYZYPVDSKG-UHFFFAOYSA-N
XLogP1.04
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)ethylamino]methyl]phenol?
The IUPAC name of 2-[[2-(dimethylamino)ethylamino]methyl]phenol (CID 3974624) is 2-[[2-(dimethylamino)ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[2-(dimethylamino)ethylamino]methyl]phenol?
The canonical SMILES for 2-[[2-(dimethylamino)ethylamino]methyl]phenol is CN(C)CCNCc1ccccc1O.
What is the InChIKey of 2-[[2-(dimethylamino)ethylamino]methyl]phenol?
The InChIKey is MKJWJYZYPVDSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13(2)8-7-12-9-10-5-3-4-6-11(10)14/h3-6,12,14H,7-9H2,1-2H3.
What are the key properties of 2-[[2-(dimethylamino)ethylamino]methyl]phenol?
2-[[2-(dimethylamino)ethylamino]methyl]phenol has a molecular weight of 194.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethylamino]methyl]phenol is sourced from PubChem (CID 3974624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).