3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine

C11H16N2O4 — CID 29015972

IUPAC3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
SMILESCNCCCOc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O4/c1-12-6-3-7-17-11-5-4-9(16-2)8-10(11)13(14)15/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyQRVREZPHWRPDMH-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.59
Rot. Bonds7

About 3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine

3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine (PubChem CID 29015972) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
PubChem CID29015972
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
SMILESCNCCCOc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O4/c1-12-6-3-7-17-11-5-4-9(16-2)8-10(11)13(14)15/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyQRVREZPHWRPDMH-UHFFFAOYSA-N
XLogP1.59
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine
CID 29015980
4-methoxy-1-[2-(4-methylphenoxy)ethoxy]-2-nitrobenzene
CID 55327751
2-(4-iodo-2-nitrophenoxy)-N-methylethanamine
CID 66080361
4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 8537580
4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene
CID 7714405
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
1-[3-(3-methoxyphenoxy)propoxy]-4-methyl-2-nitrobenzene
CID 2284165
[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol
CID 110005212
2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine
CID 62336435
2-(ethylamino)-4-(4-methoxy-2-nitrophenoxy)butanamide
CID 63039034
1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine
CID 64572751
1-[12-[4-(4-methoxyphenyl)phenoxy]dodecoxy]-2,4-dinitrobenzene
CID 57220439

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine (CID 29015972) is 3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine is CNCCCOc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of 3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine?
The InChIKey is QRVREZPHWRPDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-12-6-3-7-17-11-5-4-9(16-2)8-10(11)13(14)15/h4-5,8,12H,3,6-7H2,1-2H3.
What are the key properties of 3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine?
3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine has a molecular weight of 240.26 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 29015972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).