2-amino-4-(2-aminoethoxymethyl)phenol

C9H14N2O2 — CID 155692143

IUPAC2-amino-4-(2-aminoethoxymethyl)phenol
SMILESNCCOCc1ccc(O)c(N)c1
InChIInChI=1S/C9H14N2O2/c10-3-4-13-6-7-1-2-9(12)8(11)5-7/h1-2,5,12H,3-4,6,10-11H2
InChIKeyZJJOFCLSZOOZDK-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.45
Rot. Bonds4

About 2-amino-4-(2-aminoethoxymethyl)phenol

2-amino-4-(2-aminoethoxymethyl)phenol (PubChem CID 155692143) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-amino-4-(2-aminoethoxymethyl)phenol.

Molecular Properties

Compound Name2-amino-4-(2-aminoethoxymethyl)phenol
PubChem CID155692143
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-amino-4-(2-aminoethoxymethyl)phenol
SMILESNCCOCc1ccc(O)c(N)c1
InChIInChI=1S/C9H14N2O2/c10-3-4-13-6-7-1-2-9(12)8(11)5-7/h1-2,5,12H,3-4,6,10-11H2
InChIKeyZJJOFCLSZOOZDK-UHFFFAOYSA-N
XLogP0.45
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-aminoethoxymethyl)phenol?
The IUPAC name of 2-amino-4-(2-aminoethoxymethyl)phenol (CID 155692143) is 2-amino-4-(2-aminoethoxymethyl)phenol.
What is the SMILES notation for 2-amino-4-(2-aminoethoxymethyl)phenol?
The canonical SMILES for 2-amino-4-(2-aminoethoxymethyl)phenol is NCCOCc1ccc(O)c(N)c1.
What is the InChIKey of 2-amino-4-(2-aminoethoxymethyl)phenol?
The InChIKey is ZJJOFCLSZOOZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-3-4-13-6-7-1-2-9(12)8(11)5-7/h1-2,5,12H,3-4,6,10-11H2.
What are the key properties of 2-amino-4-(2-aminoethoxymethyl)phenol?
2-amino-4-(2-aminoethoxymethyl)phenol has a molecular weight of 182.22 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-aminoethoxymethyl)phenol is sourced from PubChem (CID 155692143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).