4-phenoxybenzene-1,2-diamine

C12H12N2O — CID 10655643

IUPAC4-phenoxybenzene-1,2-diamine
SMILESNc1ccc(Oc2ccccc2)cc1N
InChIInChI=1S/C12H12N2O/c13-11-7-6-10(8-12(11)14)15-9-4-2-1-3-5-9/h1-8H,13-14H2
InChIKeyFJVIHKKXPLPDSV-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.64
Rot. Bonds2

About 4-phenoxybenzene-1,2-diamine

4-phenoxybenzene-1,2-diamine (PubChem CID 10655643) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-phenoxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-phenoxybenzene-1,2-diamine
PubChem CID10655643
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-phenoxybenzene-1,2-diamine
SMILESNc1ccc(Oc2ccccc2)cc1N
InChIInChI=1S/C12H12N2O/c13-11-7-6-10(8-12(11)14)15-9-4-2-1-3-5-9/h1-8H,13-14H2
InChIKeyFJVIHKKXPLPDSV-UHFFFAOYSA-N
XLogP2.64
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxybenzene-1,2-diamine?
The IUPAC name of 4-phenoxybenzene-1,2-diamine (CID 10655643) is 4-phenoxybenzene-1,2-diamine.
What is the SMILES notation for 4-phenoxybenzene-1,2-diamine?
The canonical SMILES for 4-phenoxybenzene-1,2-diamine is Nc1ccc(Oc2ccccc2)cc1N.
What is the InChIKey of 4-phenoxybenzene-1,2-diamine?
The InChIKey is FJVIHKKXPLPDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-11-7-6-10(8-12(11)14)15-9-4-2-1-3-5-9/h1-8H,13-14H2.
What are the key properties of 4-phenoxybenzene-1,2-diamine?
4-phenoxybenzene-1,2-diamine has a molecular weight of 200.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxybenzene-1,2-diamine is sourced from PubChem (CID 10655643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).