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

C16H18ClN3 — CID 23503782

IUPACN'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
SMILESCc1ccccc1/N=C(\N)N1CCc2ccccc21.Cl
InChIInChI=1S/C16H17N3.ClH/c1-12-6-2-4-8-14(12)18-16(17)19-11-10-13-7-3-5-9-15(13)19;/h2-9H,10-11H2,1H3,(H2,17,18);1H
InChIKeyLJQLCCFBMJABDN-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.43
Rot. Bonds1

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

N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride (PubChem CID 23503782) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
PubChem CID23503782
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC NameN'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
SMILESCc1ccccc1/N=C(\N)N1CCc2ccccc21.Cl
InChIInChI=1S/C16H17N3.ClH/c1-12-6-2-4-8-14(12)18-16(17)19-11-10-13-7-3-5-9-15(13)19;/h2-9H,10-11H2,1H3,(H2,17,18);1H
InChIKeyLJQLCCFBMJABDN-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'-(3-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride
CID 23503705
4-ethyl-N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide
CID 18709549
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
N'-[2-(4-methoxyphenyl)phenyl]-2,3-dihydroindole-1-carboximidamide
CID 18709570
N'-ethyl-2,3-dihydroindole-1-carboximidamide
CID 62360655
N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide
CID 22627552
N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide
CID 11780892
N'-propyl-2,3-dihydroindole-1-carboximidamide
CID 62360656
N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
CID 118045237
N'-[N'-(4-phenoxyphenyl)carbamimidoyl]-2,3-dihydroindole-1-carboximidamide
CID 123661378
2,3-dihydroindole-1-carbothioic S-acid;propanamide
CID 87347076

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride?
The IUPAC name of N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride (CID 23503782) is N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride is Cc1ccccc1/N=C(\N)N1CCc2ccccc21.Cl.
What is the InChIKey of N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride?
The InChIKey is LJQLCCFBMJABDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3.ClH/c1-12-6-2-4-8-14(12)18-16(17)19-11-10-13-7-3-5-9-15(13)19;/h2-9H,10-11H2,1H3,(H2,17,18);1H.
What are the key properties of N'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride?
N'-(2-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'-(2-methylphenyl)-2,3-dihydroindole-1-carboximidamide;hydrochloride is sourced from PubChem (CID 23503782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).