N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine

C10H12N2O3 — CID 141443680

IUPACN-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine
SMILESC=NOCCc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H12N2O3/c1-8-9(6-7-15-11-2)4-3-5-10(8)12(13)14/h3-5H,2,6-7H2,1H3
InChIKeyCZYHDKNDMUYWHC-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine

N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine (PubChem CID 141443680) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine.

Molecular Properties

Compound NameN-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine
PubChem CID141443680
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine
SMILESC=NOCCc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H12N2O3/c1-8-9(6-7-15-11-2)4-3-5-10(8)12(13)14/h3-5H,2,6-7H2,1H3
InChIKeyCZYHDKNDMUYWHC-UHFFFAOYSA-N
XLogP2.08
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene
CID 15058786
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
methyl 2-(2-methyl-3-nitrophenyl)acetate
CID 74891097
1-(isothiocyanatomethyl)-2-methyl-3-nitrobenzene
CID 103110809
N-[(2-methyl-3-nitrophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 103114868
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
(2-methyl-3-nitrophenyl)methanesulfonyl fluoride
CID 165461369
2-methyl-2-[(2-methyl-3-nitrophenyl)methyl]butanenitrile
CID 65376611
1-methoxy-4-(2-methyl-3-nitrophenyl)-N-propylbutan-2-amine
CID 62319650
2-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 43591038
1-cyclopentyl-3-(2-methyl-3-nitrophenyl)propan-1-one
CID 113390093
(E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine
CID 60523382

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine?
The IUPAC name of N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine (CID 141443680) is N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine.
What is the SMILES notation for N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine?
The canonical SMILES for N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine is C=NOCCc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine?
The InChIKey is CZYHDKNDMUYWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-8-9(6-7-15-11-2)4-3-5-10(8)12(13)14/h3-5H,2,6-7H2,1H3.
What are the key properties of N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine?
N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine has a molecular weight of 208.22 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine is sourced from PubChem (CID 141443680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).