2-[[bis(2-aminoethyl)amino]methyl]phenol

C11H19N3O — CID 541875

IUPAC2-[[bis(2-aminoethyl)amino]methyl]phenol
SMILESNCCN(CCN)Cc1ccccc1O
InChIInChI=1S/C11H19N3O/c12-5-7-14(8-6-13)9-10-3-1-2-4-11(10)15/h1-4,15H,5-9,12-13H2
InChIKeyOUZADBXJLFZGCU-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.11
Rot. Bonds6

About 2-[[bis(2-aminoethyl)amino]methyl]phenol

2-[[bis(2-aminoethyl)amino]methyl]phenol (PubChem CID 541875) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[[bis(2-aminoethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[bis(2-aminoethyl)amino]methyl]phenol
PubChem CID541875
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[[bis(2-aminoethyl)amino]methyl]phenol
SMILESNCCN(CCN)Cc1ccccc1O
InChIInChI=1S/C11H19N3O/c12-5-7-14(8-6-13)9-10-3-1-2-4-11(10)15/h1-4,15H,5-9,12-13H2
InChIKeyOUZADBXJLFZGCU-UHFFFAOYSA-N
XLogP0.11
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-[[bis(2-aminoethyl)amino]methyl]phenol?
The IUPAC name of 2-[[bis(2-aminoethyl)amino]methyl]phenol (CID 541875) is 2-[[bis(2-aminoethyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[bis(2-aminoethyl)amino]methyl]phenol?
The canonical SMILES for 2-[[bis(2-aminoethyl)amino]methyl]phenol is NCCN(CCN)Cc1ccccc1O.
What is the InChIKey of 2-[[bis(2-aminoethyl)amino]methyl]phenol?
The InChIKey is OUZADBXJLFZGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-5-7-14(8-6-13)9-10-3-1-2-4-11(10)15/h1-4,15H,5-9,12-13H2.
What are the key properties of 2-[[bis(2-aminoethyl)amino]methyl]phenol?
2-[[bis(2-aminoethyl)amino]methyl]phenol has a molecular weight of 209.29 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-aminoethyl)amino]methyl]phenol is sourced from PubChem (CID 541875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).