3-(2,3-diaminophenoxy)benzene-1,2-diamine

C12H14N4O — CID 22253755

IUPAC3-(2,3-diaminophenoxy)benzene-1,2-diamine
SMILESNc1cccc(Oc2cccc(N)c2N)c1N
InChIInChI=1S/C12H14N4O/c13-7-3-1-5-9(11(7)15)17-10-6-2-4-8(14)12(10)16/h1-6H,13-16H2
InChIKeyHWZGZWSHHNWSBP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.81
Rot. Bonds2

About 3-(2,3-diaminophenoxy)benzene-1,2-diamine

3-(2,3-diaminophenoxy)benzene-1,2-diamine (PubChem CID 22253755) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(2,3-diaminophenoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name3-(2,3-diaminophenoxy)benzene-1,2-diamine
PubChem CID22253755
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-(2,3-diaminophenoxy)benzene-1,2-diamine
SMILESNc1cccc(Oc2cccc(N)c2N)c1N
InChIInChI=1S/C12H14N4O/c13-7-3-1-5-9(11(7)15)17-10-6-2-4-8(14)12(10)16/h1-6H,13-16H2
InChIKeyHWZGZWSHHNWSBP-UHFFFAOYSA-N
XLogP1.81
TPSA113.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diaminophenoxy)benzene-1,2-diamine?
The IUPAC name of 3-(2,3-diaminophenoxy)benzene-1,2-diamine (CID 22253755) is 3-(2,3-diaminophenoxy)benzene-1,2-diamine.
What is the SMILES notation for 3-(2,3-diaminophenoxy)benzene-1,2-diamine?
The canonical SMILES for 3-(2,3-diaminophenoxy)benzene-1,2-diamine is Nc1cccc(Oc2cccc(N)c2N)c1N.
What is the InChIKey of 3-(2,3-diaminophenoxy)benzene-1,2-diamine?
The InChIKey is HWZGZWSHHNWSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-7-3-1-5-9(11(7)15)17-10-6-2-4-8(14)12(10)16/h1-6H,13-16H2.
What are the key properties of 3-(2,3-diaminophenoxy)benzene-1,2-diamine?
3-(2,3-diaminophenoxy)benzene-1,2-diamine has a molecular weight of 230.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diaminophenoxy)benzene-1,2-diamine is sourced from PubChem (CID 22253755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).