4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide

C18H21N3 — CID 18709549

IUPAC4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide
SMILESCCc1cccc2c1CCN2/C(N)=N/c1ccccc1C
InChIInChI=1S/C18H21N3/c1-3-14-8-6-10-17-15(14)11-12-21(17)18(19)20-16-9-5-4-7-13(16)2/h4-10H,3,11-12H2,1-2H3,(H2,19,20)
InChIKeyDIUUVGKUTKZHGB-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.57
Rot. Bonds2

About 4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide

4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide (PubChem CID 18709549) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound Name4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide
PubChem CID18709549
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide
SMILESCCc1cccc2c1CCN2/C(N)=N/c1ccccc1C
InChIInChI=1S/C18H21N3/c1-3-14-8-6-10-17-15(14)11-12-21(17)18(19)20-16-9-5-4-7-13(16)2/h4-10H,3,11-12H2,1-2H3,(H2,19,20)
InChIKeyDIUUVGKUTKZHGB-UHFFFAOYSA-N
XLogP3.57
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503782
N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503705
3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 121204186
N'-ethyl-2,3-dihydroindole-1-carboximidamide
CID 62360655
2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid
CID 58765445
N'-(2,3-dimethylphenyl)-2H-benzo[cd]indole-1-carboximidamide
CID 23503731
N'-naphthalen-1-yl-2,3-dihydro-1,4-benzothiazine-4-carboximidamide
CID 19358185
N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide
CID 11780892
(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride
CID 84713660
1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
CID 117332900
1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone
CID 54819245
N'-propyl-2,3-dihydroindole-1-carboximidamide
CID 62360656

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of 4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide (CID 18709549) is 4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for 4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for 4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide is CCc1cccc2c1CCN2/C(N)=N/c1ccccc1C.
What is the InChIKey of 4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide?
The InChIKey is DIUUVGKUTKZHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-14-8-6-10-17-15(14)11-12-21(17)18(19)20-16-9-5-4-7-13(16)2/h4-10H,3,11-12H2,1-2H3,(H2,19,20).
What are the key properties of 4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide?
4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide has a molecular weight of 279.39 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 18709549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).