N'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide

C17H17N3O — CID 68547007

IUPACN'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide
SMILESCOc1ccccc1-c1cc2cc(/N=C(\C)N)ccc2[nH]1
InChIInChI=1S/C17H17N3O/c1-11(18)19-13-7-8-15-12(9-13)10-16(20-15)14-5-3-4-6-17(14)21-2/h3-10,20H,1-2H3,(H2,18,19)
InChIKeyVKGDKKQKBMGIIQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.85
Rot. Bonds3

About N'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide

N'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide (PubChem CID 68547007) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide
PubChem CID68547007
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide
SMILESCOc1ccccc1-c1cc2cc(/N=C(\C)N)ccc2[nH]1
InChIInChI=1S/C17H17N3O/c1-11(18)19-13-7-8-15-12(9-13)10-16(20-15)14-5-3-4-6-17(14)21-2/h3-10,20H,1-2H3,(H2,18,19)
InChIKeyVKGDKKQKBMGIIQ-UHFFFAOYSA-N
XLogP3.85
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.85
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

Harmaline
CID 3564
6-Methoxyharmalan
CID 417052
2-methoxy-3-methyl-9H-carbazole
CID 11052947
1H-2-(2-Methoxyphenyl)indole
CID 901191
2-(4-methoxyphenyl)-1H-indole
CID 231244
5-Methoxy-2-phenylindole
CID 292850
2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide
CID 47626
5-methoxy-2-phenyl-N,N-dimethyltryptamine
CID 6918515
Harmaline Hydrochloride Dihydrate
CID 2723643
3-Methoxy-9H-carbazole
CID 519621
6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 9881478
3-(5-(Amino(iminio)methyl)-1H-indol-2-YL)-5-methoxy-1,1'-biphenyl-2-olate
CID 447492

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide?
The IUPAC name of N'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide (CID 68547007) is N'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide.
What is the SMILES notation for N'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide?
The canonical SMILES for N'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide is COc1ccccc1-c1cc2cc(/N=C(\C)N)ccc2[nH]1.
What is the InChIKey of N'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide?
The InChIKey is VKGDKKQKBMGIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11(18)19-13-7-8-15-12(9-13)10-16(20-15)14-5-3-4-6-17(14)21-2/h3-10,20H,1-2H3,(H2,18,19).
What are the key properties of N'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide?
N'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide has a molecular weight of 279.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxyphenyl)-1H-indol-5-yl]ethanimidamide is sourced from PubChem (CID 68547007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).