(2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

C20H22N2 — CID 1211230

IUPAC(2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCc1ccccc1/N=C/C=C1\N(C)c2ccccc2C1(C)C
InChIInChI=1S/C20H22N2/c1-15-9-5-7-11-17(15)21-14-13-19-20(2,3)16-10-6-8-12-18(16)22(19)4/h5-14H,1-4H3/b19-13-,21-14+
InChIKeyYXFWFPCSDCGEMJ-GRDMYJHDSA-N
MW290.41 g/mol
LogP5.01
Rot. Bonds2

About (2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

(2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (PubChem CID 1211230) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.

Molecular Properties

Compound Name(2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
PubChem CID1211230
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name(2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCc1ccccc1/N=C/C=C1\N(C)c2ccccc2C1(C)C
InChIInChI=1S/C20H22N2/c1-15-9-5-7-11-17(15)21-14-13-19-20(2,3)16-10-6-8-12-18(16)22(19)4/h5-14H,1-4H3/b19-13-,21-14+
InChIKeyYXFWFPCSDCGEMJ-GRDMYJHDSA-N
XLogP5.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.01
H-Bond Donors ≤ 50
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 (2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The IUPAC name of (2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (CID 1211230) is (2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.
What is the SMILES notation for (2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The canonical SMILES for (2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is Cc1ccccc1/N=C/C=C1\N(C)c2ccccc2C1(C)C.
What is the InChIKey of (2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The InChIKey is YXFWFPCSDCGEMJ-GRDMYJHDSA-N. The full InChI is InChI=1S/C20H22N2/c1-15-9-5-7-11-17(15)21-14-13-19-20(2,3)16-10-6-8-12-18(16)22(19)4/h5-14H,1-4H3/b19-13-,21-14+.
What are the key properties of (2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
(2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine has a molecular weight of 290.41 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is sourced from PubChem (CID 1211230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).