N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

C20H26FIN4 — CID 110983599

IUPACN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(c1ccc(F)cc1)N(C)C)N1CCc2ccccc21.I
InChIInChI=1S/C20H25FN4.HI/c1-22-20(25-13-12-15-6-4-5-7-18(15)25)23-14-19(24(2)3)16-8-10-17(21)11-9-16;/h4-11,19H,12-14H2,1-3H3,(H,22,23);1H
InChIKeyHLXXWAUWRJSTGI-UHFFFAOYSA-N
MW468.36 g/mol
LogP3.68
Rot. Bonds4

About N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110983599) has the molecular formula C20H26FIN4 and a molecular weight of 468.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110983599
Molecular FormulaC20H26FIN4
Molecular Weight468.36 g/mol
Exact Mass468.12
IUPAC NameN-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(c1ccc(F)cc1)N(C)C)N1CCc2ccccc21.I
InChIInChI=1S/C20H25FN4.HI/c1-22-20(25-13-12-15-6-4-5-7-18(15)25)23-14-19(24(2)3)16-8-10-17(21)11-9-16;/h4-11,19H,12-14H2,1-3H3,(H,22,23);1H
InChIKeyHLXXWAUWRJSTGI-UHFFFAOYSA-N
XLogP3.68
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984520
N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 111548721
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984566
N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116456
N-(2-methoxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983389
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983393
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2,3-dihydroindole-1-carboxamide
CID 52592244
2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116485
N-[2-(diethylamino)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984243
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984324
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984997

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110983599) is N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is C/N=C(\NCC(c1ccc(F)cc1)N(C)C)N1CCc2ccccc21.I.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is HLXXWAUWRJSTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4.HI/c1-22-20(25-13-12-15-6-4-5-7-18(15)25)23-14-19(24(2)3)16-8-10-17(21)11-9-16;/h4-11,19H,12-14H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 468.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110983599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).