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

C21H28N4O — CID 110984520

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCC(c1ccc(OC)cc1)N(C)C)N1CCc2ccccc21
InChIInChI=1S/C21H28N4O/c1-22-21(25-14-13-16-7-5-6-8-19(16)25)23-15-20(24(2)3)17-9-11-18(26-4)12-10-17/h5-12,20H,13-15H2,1-4H3,(H,22,23)
InChIKeyQMHMQSKLSRMPDM-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.94
Rot. Bonds5

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

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 110984520) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
PubChem CID110984520
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCC(c1ccc(OC)cc1)N(C)C)N1CCc2ccccc21
InChIInChI=1S/C21H28N4O/c1-22-21(25-14-13-16-7-5-6-8-19(16)25)23-15-20(24(2)3)17-9-11-18(26-4)12-10-17/h5-12,20H,13-15H2,1-4H3,(H,22,23)
InChIKeyQMHMQSKLSRMPDM-UHFFFAOYSA-N
XLogP2.94
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.94
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-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983599
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984566
N-(2-methoxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983389
N-[2-(4-fluorophenyl)-2-methoxyethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 111548721
N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116456
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2,3-dihydroindole-1-carboxamide
CID 52592244
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983513
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983393
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984324
2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116485
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984294

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide (CID 110984520) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCC(c1ccc(OC)cc1)N(C)C)N1CCc2ccccc21.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is QMHMQSKLSRMPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-22-21(25-14-13-16-7-5-6-8-19(16)25)23-15-20(24(2)3)17-9-11-18(26-4)12-10-17/h5-12,20H,13-15H2,1-4H3,(H,22,23).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 352.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110984520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).