2-[(2-aminoethylamino)methyl]phenol

C9H14N2O — CID 3033857

IUPAC2-[(2-aminoethylamino)methyl]phenol
SMILESNCCNCc1ccccc1O
InChIInChI=1S/C9H14N2O/c10-5-6-11-7-8-3-1-2-4-9(8)12/h1-4,11-12H,5-7,10H2
InChIKeyZJSCDDIGFJQVAC-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.44
Rot. Bonds4

About 2-[(2-aminoethylamino)methyl]phenol

2-[(2-aminoethylamino)methyl]phenol (PubChem CID 3033857) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[(2-aminoethylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(2-aminoethylamino)methyl]phenol
PubChem CID3033857
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-[(2-aminoethylamino)methyl]phenol
SMILESNCCNCc1ccccc1O
InChIInChI=1S/C9H14N2O/c10-5-6-11-7-8-3-1-2-4-9(8)12/h1-4,11-12H,5-7,10H2
InChIKeyZJSCDDIGFJQVAC-UHFFFAOYSA-N
XLogP0.44
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.44
H-Bond Donors ≤ 53
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-aminoethylamino)methyl]phenol?
The IUPAC name of 2-[(2-aminoethylamino)methyl]phenol (CID 3033857) is 2-[(2-aminoethylamino)methyl]phenol.
What is the SMILES notation for 2-[(2-aminoethylamino)methyl]phenol?
The canonical SMILES for 2-[(2-aminoethylamino)methyl]phenol is NCCNCc1ccccc1O.
What is the InChIKey of 2-[(2-aminoethylamino)methyl]phenol?
The InChIKey is ZJSCDDIGFJQVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-5-6-11-7-8-3-1-2-4-9(8)12/h1-4,11-12H,5-7,10H2.
What are the key properties of 2-[(2-aminoethylamino)methyl]phenol?
2-[(2-aminoethylamino)methyl]phenol has a molecular weight of 166.22 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoethylamino)methyl]phenol is sourced from PubChem (CID 3033857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).