N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride

C16H18ClN3 — CID 23503705

IUPACN'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
SMILESCc1cccc(/N=C(\N)N2CCc3ccccc32)c1.Cl
InChIInChI=1S/C16H17N3.ClH/c1-12-5-4-7-14(11-12)18-16(17)19-10-9-13-6-2-3-8-15(13)19;/h2-8,11H,9-10H2,1H3,(H2,17,18);1H
InChIKeyMKEXTMISSGZHOY-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.43
Rot. Bonds1

About N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride

N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride (PubChem CID 23503705) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
PubChem CID23503705
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC NameN'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
SMILESCc1cccc(/N=C(\N)N2CCc3ccccc32)c1.Cl
InChIInChI=1S/C16H17N3.ClH/c1-12-5-4-7-14(11-12)18-16(17)19-10-9-13-6-2-3-8-15(13)19;/h2-8,11H,9-10H2,1H3,(H2,17,18);1H
InChIKeyMKEXTMISSGZHOY-UHFFFAOYSA-N
XLogP3.43
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.43
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'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide
CID 22627552
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
N'-(3,4-difluorophenyl)-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 18709592
N'-ethyl-2,3-dihydroindole-1-carboximidamide
CID 62360655
N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide
CID 11780892
N'-propyl-2,3-dihydroindole-1-carboximidamide
CID 62360656
N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide
CID 18709570
N-(2,3-dihydroindole-1-carbothioyl)-3-methylbenzamide
CID 905190
N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
CID 123661378
N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
CID 118045237

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride?
The IUPAC name of N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride (CID 23503705) is N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride is Cc1cccc(/N=C(\N)N2CCc3ccccc32)c1.Cl.
What is the InChIKey of N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride?
The InChIKey is MKEXTMISSGZHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3.ClH/c1-12-5-4-7-14(11-12)18-16(17)19-10-9-13-6-2-3-8-15(13)19;/h2-8,11H,9-10H2,1H3,(H2,17,18);1H.
What are the key properties of N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride?
N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride is sourced from PubChem (CID 23503705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).