3-(2-methoxyphenyl)iminoisoindol-1-amine

C15H13N3O — CID 2312220

IUPAC3-(2-methoxyphenyl)iminoisoindol-1-amine
SMILESCOc1ccccc1/N=C1\N=C(N)c2ccccc21
InChIInChI=1S/C15H13N3O/c1-19-13-9-5-4-8-12(13)17-15-11-7-3-2-6-10(11)14(16)18-15/h2-9H,1H3,(H2,16,17,18)
InChIKeyNKSCHNDFXSZDDE-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.49
Rot. Bonds2

About 3-(2-methoxyphenyl)iminoisoindol-1-amine

3-(2-methoxyphenyl)iminoisoindol-1-amine (PubChem CID 2312220) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)iminoisoindol-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)iminoisoindol-1-amine
PubChem CID2312220
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name3-(2-methoxyphenyl)iminoisoindol-1-amine
SMILESCOc1ccccc1/N=C1\N=C(N)c2ccccc21
InChIInChI=1S/C15H13N3O/c1-19-13-9-5-4-8-12(13)17-15-11-7-3-2-6-10(11)14(16)18-15/h2-9H,1H3,(H2,16,17,18)
InChIKeyNKSCHNDFXSZDDE-UHFFFAOYSA-N
XLogP2.49
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
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-(2-methoxyphenyl)iminoisoindol-1-amine?
The IUPAC name of 3-(2-methoxyphenyl)iminoisoindol-1-amine (CID 2312220) is 3-(2-methoxyphenyl)iminoisoindol-1-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)iminoisoindol-1-amine?
The canonical SMILES for 3-(2-methoxyphenyl)iminoisoindol-1-amine is COc1ccccc1/N=C1\N=C(N)c2ccccc21.
What is the InChIKey of 3-(2-methoxyphenyl)iminoisoindol-1-amine?
The InChIKey is NKSCHNDFXSZDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-19-13-9-5-4-8-12(13)17-15-11-7-3-2-6-10(11)14(16)18-15/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 3-(2-methoxyphenyl)iminoisoindol-1-amine?
3-(2-methoxyphenyl)iminoisoindol-1-amine has a molecular weight of 251.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)iminoisoindol-1-amine is sourced from PubChem (CID 2312220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).