5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde

C11H14N2O4 — CID 11708505

IUPAC5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde
SMILESCN(C)CCOc1ccc([N+](=O)[O-])c(C=O)c1
InChIInChI=1S/C11H14N2O4/c1-12(2)5-6-17-10-3-4-11(13(15)16)9(7-10)8-14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUSLPRYCBDKMZGO-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.35
Rot. Bonds6

About 5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde

5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde (PubChem CID 11708505) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde
PubChem CID11708505
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde
SMILESCN(C)CCOc1ccc([N+](=O)[O-])c(C=O)c1
InChIInChI=1S/C11H14N2O4/c1-12(2)5-6-17-10-3-4-11(13(15)16)9(7-10)8-14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUSLPRYCBDKMZGO-UHFFFAOYSA-N
XLogP1.35
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

5-(2-chloroethoxy)-2-nitrobenzaldehyde
CID 14177143
5-(2-methylpropoxy)-2-nitrobenzaldehyde
CID 21469084
N-cyclohexyl-4-(3-formyl-4-nitrophenoxy)-N-(2-hydroxyethyl)butanamide
CID 13364984
2-nitro-5-(trifluoromethoxy)benzaldehyde
CID 162535108
methyl 2-[N-[4-(3-formyl-4-nitrophenoxy)butanoyl]anilino]acetate
CID 88663022
N,N-dimethyl-2-[4-[(E)-2-nitroethenyl]phenoxy]ethanamine
CID 55017611
N,N-dimethyl-3-[4-[(E)-2-(2-nitrophenyl)ethenyl]phenoxy]propan-1-amine
CID 118960630
methane;5-methoxy-2-nitrobenzaldehyde;(5-methoxy-2-nitrophenyl)methanol
CID 160701549
4-amino-3-nitrophenol;2-(dimethylamino)ethanol;4-[2-(dimethylamino)ethoxy]-2-nitroaniline;methane
CID 165008876
1-cyclohexyl-3-[3-(3-formyl-4-nitrophenoxy)propyl]urea
CID 19773195
4-(3-formyl-4-nitrophenoxy)-N-(2-methylpiperazin-1-yl)butanamide
CID 88601846
2-bromo-5-[2-(dimethylamino)ethoxy]benzaldehyde;2-bromo-5-hydroxybenzaldehyde;2-chloro-N,N-dimethylethanamine
CID 160902617

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde (CID 11708505) is 5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde is CN(C)CCOc1ccc([N+](=O)[O-])c(C=O)c1.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde?
The InChIKey is USLPRYCBDKMZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-12(2)5-6-17-10-3-4-11(13(15)16)9(7-10)8-14/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde?
5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde has a molecular weight of 238.24 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-2-nitrobenzaldehyde is sourced from PubChem (CID 11708505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).