[2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium

C15H14N3O+ — CID 91423527

IUPAC[2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium
SMILESC[N+](=O)c1ccc2cc(-c3ccc(N)cc3)[nH]c2c1
InChIInChI=1S/C15H14N3O/c1-18(19)13-7-4-11-8-14(17-15(11)9-13)10-2-5-12(16)6-3-10/h2-9,17H,16H2,1H3/q+1
InChIKeyYKNWLGVOPJZHRA-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.46
Rot. Bonds2

About [2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium

[2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium (PubChem CID 91423527) has the molecular formula C15H14N3O+ and a molecular weight of 252.30 g/mol. Its IUPAC name is [2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium.

Molecular Properties

Compound Name[2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium
PubChem CID91423527
Molecular FormulaC15H14N3O+
Molecular Weight252.30 g/mol
Exact Mass252.11
IUPAC Name[2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium
SMILESC[N+](=O)c1ccc2cc(-c3ccc(N)cc3)[nH]c2c1
InChIInChI=1S/C15H14N3O/c1-18(19)13-7-4-11-8-14(17-15(11)9-13)10-2-5-12(16)6-3-10/h2-9,17H,16H2,1H3/q+1
InChIKeyYKNWLGVOPJZHRA-UHFFFAOYSA-N
XLogP3.46
TPSA61.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(6-fluoro-1H-indol-2-yl)aniline
CID 71602423
4-(5-methyl-1H-indol-2-yl)aniline
CID 15322512
methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate
CID 69224754
5-methyl-2-(4-nitrophenyl)-1H-indole
CID 70116809
[amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride
CID 172946437
5-methyl-2-(4-methylphenyl)-1H-indol-6-amine
CID 82389166
3-(4-aminophenyl)-7-(dimethylamino)-2H-isoquinolin-1-one
CID 134268735
2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide;hydrate;dihydrochloride
CID 18676829
2-phenyl-1H-indole-6-carboxamide
CID 69443786
6-(4-aminophenyl)-1H-pyrimidine-2,4-dione
CID 20980738
N-[4-(6-methyl-1H-indol-2-yl)phenyl]acetamide
CID 91585636
5-nitro-2-[4-[(4-nitrophenyl)methyl]phenyl]-1H-indole
CID 15534182

Frequently Asked Questions

What is the IUPAC name of [2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium?
The IUPAC name of [2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium (CID 91423527) is [2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium.
What is the SMILES notation for [2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium?
The canonical SMILES for [2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium is C[N+](=O)c1ccc2cc(-c3ccc(N)cc3)[nH]c2c1.
What is the InChIKey of [2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium?
The InChIKey is YKNWLGVOPJZHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N3O/c1-18(19)13-7-4-11-8-14(17-15(11)9-13)10-2-5-12(16)6-3-10/h2-9,17H,16H2,1H3/q+1.
What are the key properties of [2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium?
[2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium has a molecular weight of 252.30 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-aminophenyl)-1H-indol-6-yl]-methyl-oxoazanium is sourced from PubChem (CID 91423527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).