2-(methoxymethyl)-6-nitro-N-propylaniline

C11H16N2O3 — CID 107352092

IUPAC2-(methoxymethyl)-6-nitro-N-propylaniline
SMILESCCCNc1c(COC)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O3/c1-3-7-12-11-9(8-16-2)5-4-6-10(11)13(14)15/h4-6,12H,3,7-8H2,1-2H3
InChIKeyAZTBWAPIFJZPHM-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.56
Rot. Bonds6

About 2-(methoxymethyl)-6-nitro-N-propylaniline

2-(methoxymethyl)-6-nitro-N-propylaniline (PubChem CID 107352092) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-nitro-N-propylaniline.

Molecular Properties

Compound Name2-(methoxymethyl)-6-nitro-N-propylaniline
PubChem CID107352092
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(methoxymethyl)-6-nitro-N-propylaniline
SMILESCCCNc1c(COC)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O3/c1-3-7-12-11-9(8-16-2)5-4-6-10(11)13(14)15/h4-6,12H,3,7-8H2,1-2H3
InChIKeyAZTBWAPIFJZPHM-UHFFFAOYSA-N
XLogP2.56
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(butoxymethyl)-6-nitro-N-propylaniline
CID 107352305
N-ethyl-2-(2-methoxyethoxymethyl)-6-nitroaniline
CID 107352178
N,N,N'-trimethyl-N'-[[3-nitro-2-(propylamino)phenyl]methyl]ethane-1,2-diamine
CID 107351328
1-[[3-nitro-2-(propylamino)phenyl]methyl]pyrrolidine-2,5-dione
CID 107351735
ethyl 2-[[3-nitro-2-(propylamino)phenyl]methylsulfanyl]acetate
CID 107352650
2-(morpholin-4-ylmethyl)-6-nitro-N-propylaniline
CID 107350670
1-[[3-nitro-2-(propylamino)phenyl]methyl]pyrrolidine-3,4-diol
CID 107351679
2-nitro-6-(propylaminomethyl)phenol
CID 138521206
2-nitro-N-propyl-6-(thiomorpholin-4-ylmethyl)aniline
CID 107350638
2-[[cyclopentyl(methyl)amino]methyl]-6-nitro-N-propylaniline
CID 107350798
2-[(2-methylfuran-3-yl)sulfanylmethyl]-6-nitro-N-propylaniline
CID 107782337
2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-nitro-N-propylaniline
CID 107351738

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-nitro-N-propylaniline?
The IUPAC name of 2-(methoxymethyl)-6-nitro-N-propylaniline (CID 107352092) is 2-(methoxymethyl)-6-nitro-N-propylaniline.
What is the SMILES notation for 2-(methoxymethyl)-6-nitro-N-propylaniline?
The canonical SMILES for 2-(methoxymethyl)-6-nitro-N-propylaniline is CCCNc1c(COC)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(methoxymethyl)-6-nitro-N-propylaniline?
The InChIKey is AZTBWAPIFJZPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-7-12-11-9(8-16-2)5-4-6-10(11)13(14)15/h4-6,12H,3,7-8H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-6-nitro-N-propylaniline?
2-(methoxymethyl)-6-nitro-N-propylaniline has a molecular weight of 224.26 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-nitro-N-propylaniline is sourced from PubChem (CID 107352092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).