3-imino-5-phenoxyisoindol-1-amine

C14H11N3O — CID 19606674

IUPAC3-imino-5-phenoxyisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C14H11N3O/c15-13-11-7-6-10(8-12(11)14(16)17-13)18-9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)
InChIKeyYPZZPBJRFJHBNR-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.52
Rot. Bonds2

About 3-imino-5-phenoxyisoindol-1-amine

3-imino-5-phenoxyisoindol-1-amine (PubChem CID 19606674) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-imino-5-phenoxyisoindol-1-amine.

Molecular Properties

Compound Name3-imino-5-phenoxyisoindol-1-amine
PubChem CID19606674
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name3-imino-5-phenoxyisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C14H11N3O/c15-13-11-7-6-10(8-12(11)14(16)17-13)18-9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)
InChIKeyYPZZPBJRFJHBNR-UHFFFAOYSA-N
XLogP2.52
TPSA71.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-imino-5-phenoxyisoindol-1-amine?
The IUPAC name of 3-imino-5-phenoxyisoindol-1-amine (CID 19606674) is 3-imino-5-phenoxyisoindol-1-amine.
What is the SMILES notation for 3-imino-5-phenoxyisoindol-1-amine?
The canonical SMILES for 3-imino-5-phenoxyisoindol-1-amine is [H]/N=C1\N=C(N)c2ccc(Oc3ccccc3)cc21.
What is the InChIKey of 3-imino-5-phenoxyisoindol-1-amine?
The InChIKey is YPZZPBJRFJHBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-13-11-7-6-10(8-12(11)14(16)17-13)18-9-4-2-1-3-5-9/h1-8H,(H3,15,16,17).
What are the key properties of 3-imino-5-phenoxyisoindol-1-amine?
3-imino-5-phenoxyisoindol-1-amine has a molecular weight of 237.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-5-phenoxyisoindol-1-amine is sourced from PubChem (CID 19606674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).