N-methyl-N-(2-nitrophenyl)selanylmethanamine

C8H10N2O2Se — CID 14947914

IUPACN-methyl-N-(2-nitrophenyl)selanylmethanamine
SMILESCN(C)[Se]c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O2Se/c1-9(2)13-8-6-4-3-5-7(8)10(11)12/h3-6H,1-2H3
InChIKeyRCYVSXAWXACWDC-UHFFFAOYSA-N
MW245.14 g/mol
LogP0.40
Rot. Bonds3

About N-methyl-N-(2-nitrophenyl)selanylmethanamine

N-methyl-N-(2-nitrophenyl)selanylmethanamine (PubChem CID 14947914) has the molecular formula C8H10N2O2Se and a molecular weight of 245.14 g/mol. Its IUPAC name is N-methyl-N-(2-nitrophenyl)selanylmethanamine.

Molecular Properties

Compound NameN-methyl-N-(2-nitrophenyl)selanylmethanamine
PubChem CID14947914
Molecular FormulaC8H10N2O2Se
Molecular Weight245.14 g/mol
Exact Mass245.99
IUPAC NameN-methyl-N-(2-nitrophenyl)selanylmethanamine
SMILESCN(C)[Se]c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O2Se/c1-9(2)13-8-6-4-3-5-7(8)10(11)12/h3-6H,1-2H3
InChIKeyRCYVSXAWXACWDC-UHFFFAOYSA-N
XLogP0.40
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hydroxyselanyl-2-nitrobenzene
CID 15565401
(2-nitrophenyl) selenohypochlorite
CID 71359588
1-bromo-2-nitrobenzene;ethane
CID 91072043
(2-nitrophenyl)selanyl cyanate
CID 11379526
1-nitro-2-(2-nitropropan-2-yl)benzene
CID 87409221
azanide;1,2-dinitrobenzene;platinum
CID 158959684
1-bromo-2-nitrobenzene
CID 158366116
1,1-dimethyl-2-[2-(2-nitrophenyl)ethyl]hydrazine
CID 83014156
acetonitrile;1,2-dinitrobenzene
CID 174895848
methanol;2-nitrophenol
CID 157303764
2-fluoro-N,N-dimethyl-3-nitroaniline
CID 131699647
ethane;2-nitrobenzaldehyde
CID 91029364

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-nitrophenyl)selanylmethanamine?
The IUPAC name of N-methyl-N-(2-nitrophenyl)selanylmethanamine (CID 14947914) is N-methyl-N-(2-nitrophenyl)selanylmethanamine.
What is the SMILES notation for N-methyl-N-(2-nitrophenyl)selanylmethanamine?
The canonical SMILES for N-methyl-N-(2-nitrophenyl)selanylmethanamine is CN(C)[Se]c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-N-(2-nitrophenyl)selanylmethanamine?
The InChIKey is RCYVSXAWXACWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2Se/c1-9(2)13-8-6-4-3-5-7(8)10(11)12/h3-6H,1-2H3.
What are the key properties of N-methyl-N-(2-nitrophenyl)selanylmethanamine?
N-methyl-N-(2-nitrophenyl)selanylmethanamine has a molecular weight of 245.14 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-nitrophenyl)selanylmethanamine is sourced from PubChem (CID 14947914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).