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

C11H16N2O4 — CID 106840021

IUPAC2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine
SMILESCNCC(C)Oc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H16N2O4/c1-8(7-12-2)17-10-5-4-9(13(14)15)6-11(10)16-3/h4-6,8,12H,7H2,1-3H3
InChIKeyUPKQIUYCNGYDLC-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.59
Rot. Bonds6

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

2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine (PubChem CID 106840021) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine
PubChem CID106840021
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine
SMILESCNCC(C)Oc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C11H16N2O4/c1-8(7-12-2)17-10-5-4-9(13(14)15)6-11(10)16-3/h4-6,8,12H,7H2,1-3H3
InChIKeyUPKQIUYCNGYDLC-UHFFFAOYSA-N
XLogP1.59
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxy-4-nitrophenoxy)butanenitrile
CID 114997056
methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate
CID 103337970
4-(2-methoxy-5-nitrophenoxy)pentanoic acid
CID 62213612
1-methoxy-4-nitro-2-(4-phenylbutan-2-yloxy)benzene
CID 70163100
2-(1-chloroethoxy)-1-methoxy-4-nitrobenzene
CID 174987281
2-methoxy-N-(2-methylpropyl)-5-nitroaniline
CID 43717753
1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032053
(2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile
CID 8946929
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
methyl 2-(2-methoxy-4-nitrophenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 114242164
2-[(2,4-dinitrophenyl)methoxy]-N-methylpropan-1-amine
CID 66222006
1-(3,7-dimethyloctoxy)-2-methoxy-4-nitrobenzene
CID 163715158

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine?
The IUPAC name of 2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine (CID 106840021) is 2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine is CNCC(C)Oc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of 2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine?
The InChIKey is UPKQIUYCNGYDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8(7-12-2)17-10-5-4-9(13(14)15)6-11(10)16-3/h4-6,8,12H,7H2,1-3H3.
What are the key properties of 2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine?
2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine has a molecular weight of 240.26 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-nitrophenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 106840021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).