N-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride

C21H25ClN2O2 — CID 170839402

IUPACN-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
SMILESCOc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)c(OC)c1.Cl
InChIInChI=1S/C21H24N2O2.ClH/c1-21(2)16-8-6-7-9-18(16)23(3)20(21)12-13-22-17-11-10-15(24-4)14-19(17)25-5;/h6-14H,1-5H3;1H/b20-12?,22-13+;
InChIKeyQAMCXJOYXRSXDU-ZNNGEFPFSA-N
MW372.90 g/mol
LogP5.14
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride

N-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride (PubChem CID 170839402) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
PubChem CID170839402
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
SMILESCOc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)c(OC)c1.Cl
InChIInChI=1S/C21H24N2O2.ClH/c1-21(2)16-8-6-7-9-18(16)23(3)20(21)12-13-22-17-11-10-15(24-4)14-19(17)25-5;/h6-14H,1-5H3;1H/b20-12?,22-13+;
InChIKeyQAMCXJOYXRSXDU-ZNNGEFPFSA-N
XLogP5.14
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride (CID 170839402) is N-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride is COc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)c(OC)c1.Cl.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride?
The InChIKey is QAMCXJOYXRSXDU-ZNNGEFPFSA-N. The full InChI is InChI=1S/C21H24N2O2.ClH/c1-21(2)16-8-6-7-9-18(16)23(3)20(21)12-13-22-17-11-10-15(24-4)14-19(17)25-5;/h6-14H,1-5H3;1H/b20-12?,22-13+;.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride?
N-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride is sourced from PubChem (CID 170839402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).