N-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine

C11H16N2O3 — CID 115554059

IUPACN-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine
SMILESCNCC(C)Oc1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O3/c1-8-5-4-6-10(13(14)15)11(8)16-9(2)7-12-3/h4-6,9,12H,7H2,1-3H3
InChIKeyIVBOVZUCTLMYEW-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.89
Rot. Bonds5

About N-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine

N-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine (PubChem CID 115554059) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine
PubChem CID115554059
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine
SMILESCNCC(C)Oc1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O3/c1-8-5-4-6-10(13(14)15)11(8)16-9(2)7-12-3/h4-6,9,12H,7H2,1-3H3
InChIKeyIVBOVZUCTLMYEW-UHFFFAOYSA-N
XLogP1.89
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.89
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-[(3-bromo-5-nitro-4-pyridinyl)oxy]-N-methylpropan-1-amine
CID 103519802
N-[2-(2,6-dimethylphenoxy)propyl]-4-nitrobenzenesulfonamide
CID 69379381
2-(2-methyl-6-nitrophenoxy)pentanehydrazide
CID 83048033
N'-[2-(2,6-dimethylphenoxy)propanoyl]-2-nitrobenzohydrazide
CID 4958662
N'-[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-2-nitrobenzohydrazide
CID 9297820
2-methyl-N-[2-methyl-3-(methylamino)propyl]-6-nitrobenzenesulfonamide
CID 115302908
3-iodo-4-[1-(methylamino)propan-2-yloxy]-5-nitrobenzonitrile
CID 106840015
2-(2-bromophenoxy)-1-methyl-3-nitrobenzene
CID 113333873
2-[2-(2-methyl-6-nitrophenoxy)ethoxy]propanenitrile
CID 114266217
2-[4-(bromomethyl)-3-methylphenoxy]-1-methyl-3-nitrobenzene
CID 107089041
1-methyl-2-(2-methylsulfanylethoxy)-3-nitrobenzene
CID 104863830
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83123552

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine?
The IUPAC name of N-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine (CID 115554059) is N-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine.
What is the SMILES notation for N-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine?
The canonical SMILES for N-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine is CNCC(C)Oc1c(C)cccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine?
The InChIKey is IVBOVZUCTLMYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-5-4-6-10(13(14)15)11(8)16-9(2)7-12-3/h4-6,9,12H,7H2,1-3H3.
What are the key properties of N-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine?
N-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine has a molecular weight of 224.26 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-6-nitrophenoxy)propan-1-amine is sourced from PubChem (CID 115554059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).