N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide

C21H26N4O — CID 110983986

IUPACN'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccccc1N1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C21H26N4O/c1-22-21(25-11-10-17-6-2-5-9-20(17)25)23-16-18-7-3-4-8-19(18)24-12-14-26-15-13-24/h2-9H,10-16H2,1H3,(H,22,23)
InChIKeyQRPHLBUYYMWOEO-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.66
Rot. Bonds3

About N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide

N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 110983986) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
PubChem CID110983986
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccccc1N1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C21H26N4O/c1-22-21(25-11-10-17-6-2-5-9-20(17)25)23-16-18-7-3-4-8-19(18)24-12-14-26-15-13-24/h2-9H,10-16H2,1H3,(H,22,23)
InChIKeyQRPHLBUYYMWOEO-UHFFFAOYSA-N
XLogP2.66
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111153568
4-(2-fluorophenyl)-N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111148524
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 75419013
N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111144464
N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984232
N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116402
N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide
CID 110985146
N',2,2-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489888
N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 119116479
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111266589
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981042
N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983456

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide (CID 110983986) is N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCc1ccccc1N1CCOCC1)N1CCc2ccccc21.
What is the InChIKey of N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is QRPHLBUYYMWOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-22-21(25-11-10-17-6-2-5-9-20(17)25)23-16-18-7-3-4-8-19(18)24-12-14-26-15-13-24/h2-9H,10-16H2,1H3,(H,22,23).
What are the key properties of N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide?
N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 350.47 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110983986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).