2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline

C16H13Cl2N3 — CID 154926282

IUPAC2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline
SMILESCn1c(/C=N/Nc2c(Cl)cccc2Cl)cc2ccccc21
InChIInChI=1S/C16H13Cl2N3/c1-21-12(9-11-5-2-3-8-15(11)21)10-19-20-16-13(17)6-4-7-14(16)18/h2-10,20H,1H3/b19-10+
InChIKeyZIGABGVPIKGRQL-VXLYETTFSA-N
MW318.21 g/mol
LogP4.93
Rot. Bonds3

About 2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline

2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline (PubChem CID 154926282) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline
PubChem CID154926282
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline
SMILESCn1c(/C=N/Nc2c(Cl)cccc2Cl)cc2ccccc21
InChIInChI=1S/C16H13Cl2N3/c1-21-12(9-11-5-2-3-8-15(11)21)10-19-20-16-13(17)6-4-7-14(16)18/h2-10,20H,1H3/b19-10+
InChIKeyZIGABGVPIKGRQL-VXLYETTFSA-N
XLogP4.93
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline?
The IUPAC name of 2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline (CID 154926282) is 2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline.
What is the SMILES notation for 2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline?
The canonical SMILES for 2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline is Cn1c(/C=N/Nc2c(Cl)cccc2Cl)cc2ccccc21.
What is the InChIKey of 2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline?
The InChIKey is ZIGABGVPIKGRQL-VXLYETTFSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c1-21-12(9-11-5-2-3-8-15(11)21)10-19-20-16-13(17)6-4-7-14(16)18/h2-10,20H,1H3/b19-10+.
What are the key properties of 2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline?
2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline has a molecular weight of 318.21 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline is sourced from PubChem (CID 154926282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).