N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide

C18H21N3O — CID 119116456

IUPACN-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCC(O)c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C18H21N3O/c1-19-18(20-13-17(22)15-8-3-2-4-9-15)21-12-11-14-7-5-6-10-16(14)21/h2-10,17,22H,11-13H2,1H3,(H,19,20)
InChIKeyWKRJRMNYOGFVAA-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.36
Rot. Bonds3

About N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide

N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 119116456) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
PubChem CID119116456
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCC(O)c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C18H21N3O/c1-19-18(20-13-17(22)15-8-3-2-4-9-15)21-12-11-14-7-5-6-10-16(14)21/h2-10,17,22H,11-13H2,1H3,(H,19,20)
InChIKeyWKRJRMNYOGFVAA-UHFFFAOYSA-N
XLogP2.36
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-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-(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'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984520
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984324
N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-2,3-dihydroindole-1-carboximidamide
CID 110985146
N-[2-(diethylamino)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984243
N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984997
N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116402
2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116485

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide (CID 119116456) is N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCC(O)c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is WKRJRMNYOGFVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-19-18(20-13-17(22)15-8-3-2-4-9-15)21-12-11-14-7-5-6-10-16(14)21/h2-10,17,22H,11-13H2,1H3,(H,19,20).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide?
N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 295.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 119116456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).