3-(4-chloro-2-methylphenyl)iminoisoindol-1-amine

C15H12ClN3 — CID 682810

IUPAC3-(4-chloro-2-methylphenyl)iminoisoindol-1-amine
SMILESCc1cc(Cl)ccc1/N=C1\N=C(N)c2ccccc21
InChIInChI=1S/C15H12ClN3/c1-9-8-10(16)6-7-13(9)18-15-12-5-3-2-4-11(12)14(17)19-15/h2-8H,1H3,(H2,17,18,19)
InChIKeyMLLDCINREPVMGF-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.45
Rot. Bonds1

About 3-(4-chloro-2-methylphenyl)iminoisoindol-1-amine

3-(4-chloro-2-methylphenyl)iminoisoindol-1-amine (PubChem CID 682810) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenyl)iminoisoindol-1-amine.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenyl)iminoisoindol-1-amine
PubChem CID682810
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name3-(4-chloro-2-methylphenyl)iminoisoindol-1-amine
SMILESCc1cc(Cl)ccc1/N=C1\N=C(N)c2ccccc21
InChIInChI=1S/C15H12ClN3/c1-9-8-10(16)6-7-13(9)18-15-12-5-3-2-4-11(12)14(17)19-15/h2-8H,1H3,(H2,17,18,19)
InChIKeyMLLDCINREPVMGF-UHFFFAOYSA-N
XLogP3.45
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-chloro-2-methylphenyl)iminoisoindol-1-amine?
The IUPAC name of 3-(4-chloro-2-methylphenyl)iminoisoindol-1-amine (CID 682810) is 3-(4-chloro-2-methylphenyl)iminoisoindol-1-amine.
What is the SMILES notation for 3-(4-chloro-2-methylphenyl)iminoisoindol-1-amine?
The canonical SMILES for 3-(4-chloro-2-methylphenyl)iminoisoindol-1-amine is Cc1cc(Cl)ccc1/N=C1\N=C(N)c2ccccc21.
What is the InChIKey of 3-(4-chloro-2-methylphenyl)iminoisoindol-1-amine?
The InChIKey is MLLDCINREPVMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-9-8-10(16)6-7-13(9)18-15-12-5-3-2-4-11(12)14(17)19-15/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 3-(4-chloro-2-methylphenyl)iminoisoindol-1-amine?
3-(4-chloro-2-methylphenyl)iminoisoindol-1-amine has a molecular weight of 269.74 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylphenyl)iminoisoindol-1-amine is sourced from PubChem (CID 682810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).