3-phenoxybenzenecarboximidamide

C13H12N2O — CID 3008889

IUPAC3-phenoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H12N2O/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H3,14,15)
InChIKeyCEHNDHNQFURQOE-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.76
Rot. Bonds3

About 3-phenoxybenzenecarboximidamide

3-phenoxybenzenecarboximidamide (PubChem CID 3008889) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-phenoxybenzenecarboximidamide.

Molecular Properties

Compound Name3-phenoxybenzenecarboximidamide
PubChem CID3008889
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3-phenoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H12N2O/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H3,14,15)
InChIKeyCEHNDHNQFURQOE-UHFFFAOYSA-N
XLogP2.76
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxybenzenecarboximidamide?
The IUPAC name of 3-phenoxybenzenecarboximidamide (CID 3008889) is 3-phenoxybenzenecarboximidamide.
What is the SMILES notation for 3-phenoxybenzenecarboximidamide?
The canonical SMILES for 3-phenoxybenzenecarboximidamide is [H]/N=C(\N)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxybenzenecarboximidamide?
The InChIKey is CEHNDHNQFURQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H3,14,15).
What are the key properties of 3-phenoxybenzenecarboximidamide?
3-phenoxybenzenecarboximidamide has a molecular weight of 212.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxybenzenecarboximidamide is sourced from PubChem (CID 3008889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).