N-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine

C20H22N2 — CID 143783329

IUPACN-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine
SMILESC=C1c2cc(CC)ccc2CN1c1ccc(/N=C/C)c(C)c1
InChIInChI=1S/C20H22N2/c1-5-16-7-8-17-13-22(15(4)19(17)12-16)18-9-10-20(21-6-2)14(3)11-18/h6-12H,4-5,13H2,1-3H3/b21-6+
InChIKeyDEMCBIQUBJZYIS-AERZKKPOSA-N
MW290.41 g/mol
LogP5.27
Rot. Bonds3

About N-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine

N-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine (PubChem CID 143783329) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine.

Molecular Properties

Compound NameN-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine
PubChem CID143783329
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC NameN-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine
SMILESC=C1c2cc(CC)ccc2CN1c1ccc(/N=C/C)c(C)c1
InChIInChI=1S/C20H22N2/c1-5-16-7-8-17-13-22(15(4)19(17)12-16)18-9-10-20(21-6-2)14(3)11-18/h6-12H,4-5,13H2,1-3H3/b21-6+
InChIKeyDEMCBIQUBJZYIS-AERZKKPOSA-N
XLogP5.27
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-(3H-indol-5-yl)-3-methylidene-1H-isoindole
CID 89191170
5-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-1-methyl-2-propylindole
CID 143783539
5-(4-ethylphenyl)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
CID 143783411
2-(1H-indol-6-yl)-3-methylidene-5-(2-methylpropyl)-1H-isoindole
CID 89191157
2-(1-benzothiophen-6-yl)-6-ethyl-3-methylidene-1H-isoindole
CID 143783350
1,2-dimethyl-5-(5-methyl-3-methylidene-1H-isoindol-2-yl)indole;molecular hydrogen
CID 143783414
6-(5-methyl-3-methylidene-1H-isoindol-2-yl)-1,3-benzothiazole
CID 89191033
6-ethyl-2-propan-2-yl-3H-isoindol-1-one
CID 71066779
(NE)-N-(6-ethyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 82074881
acetaldehyde;4-ethyl-2-methylphenol
CID 143589394
6-ethyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 167146482
6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one
CID 126748439

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine?
The IUPAC name of N-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine (CID 143783329) is N-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine.
What is the SMILES notation for N-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine?
The canonical SMILES for N-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine is C=C1c2cc(CC)ccc2CN1c1ccc(/N=C/C)c(C)c1.
What is the InChIKey of N-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine?
The InChIKey is DEMCBIQUBJZYIS-AERZKKPOSA-N. The full InChI is InChI=1S/C20H22N2/c1-5-16-7-8-17-13-22(15(4)19(17)12-16)18-9-10-20(21-6-2)14(3)11-18/h6-12H,4-5,13H2,1-3H3/b21-6+.
What are the key properties of N-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine?
N-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine has a molecular weight of 290.41 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethyl-3-methylidene-1H-isoindol-2-yl)-2-methylphenyl]ethanimine is sourced from PubChem (CID 143783329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).