N-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine

C9H11N3O5 — CID 10824009

IUPACN-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine
SMILESCONC(C[N+](=O)[O-])c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H11N3O5/c1-17-10-9(6-11(13)14)7-3-2-4-8(5-7)12(15)16/h2-5,9-10H,6H2,1H3
InChIKeyMMFKHLVUEDIYFL-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.06
Rot. Bonds6

About N-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine

N-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine (PubChem CID 10824009) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is N-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine
PubChem CID10824009
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC NameN-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine
SMILESCONC(C[N+](=O)[O-])c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H11N3O5/c1-17-10-9(6-11(13)14)7-3-2-4-8(5-7)12(15)16/h2-5,9-10H,6H2,1H3
InChIKeyMMFKHLVUEDIYFL-UHFFFAOYSA-N
XLogP1.06
TPSA107.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-nitro-1-(3-nitrophenyl)ethyl]aniline
CID 101428358
1-nitro-3-(2-nitro-1-phenylethyl)benzene
CID 3919494
3-methoxy-N-[1-(3-nitrophenyl)propyl]aniline
CID 43133301
2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 65315335
N-(2-methylpropoxy)-1-(3-nitrophenyl)propan-1-amine
CID 82709613
4-methoxy-N-[(1R)-1-(3-methoxyphenyl)-2-nitroethyl]aniline
CID 94714158
3-[2-nitro-1-(3-nitrophenyl)ethyl]pentane-2,4-dione
CID 102494136
(3R)-3-[[2-(4-methoxyphenyl)acetyl]amino]-3-(3-nitrophenyl)propanoic acid
CID 1271486
ethane;1-nitro-3-propan-2-ylbenzene
CID 162531562
N-(4-methoxybutan-2-yl)-1-(3-nitrophenyl)butan-1-amine
CID 64603611
(1S)-3-methoxy-1-(3-nitrophenyl)but-3-en-1-ol
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trichloro-[(1S)-1-(3-nitrophenyl)ethyl]silane
CID 10636842

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine?
The IUPAC name of N-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine (CID 10824009) is N-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine.
What is the SMILES notation for N-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine?
The canonical SMILES for N-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine is CONC(C[N+](=O)[O-])c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine?
The InChIKey is MMFKHLVUEDIYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-17-10-9(6-11(13)14)7-3-2-4-8(5-7)12(15)16/h2-5,9-10H,6H2,1H3.
What are the key properties of N-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine?
N-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine has a molecular weight of 241.20 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-nitro-1-(3-nitrophenyl)ethanamine is sourced from PubChem (CID 10824009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).