N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine

C10H14N2O3 — CID 43437970

IUPACN-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine
SMILESCNCCOc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H14N2O3/c1-8-9(12(13)14)4-3-5-10(8)15-7-6-11-2/h3-5,11H,6-7H2,1-2H3
InChIKeyYYRXAVCHPWKBCB-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.50
Rot. Bonds5

About N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine

N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine (PubChem CID 43437970) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine
PubChem CID43437970
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine
SMILESCNCCOc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C10H14N2O3/c1-8-9(12(13)14)4-3-5-10(8)15-7-6-11-2/h3-5,11H,6-7H2,1-2H3
InChIKeyYYRXAVCHPWKBCB-UHFFFAOYSA-N
XLogP1.50
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(2-methyl-3-nitrophenoxy)ethyl]propan-2-amine
CID 43437967
3-(2-methyl-3-nitrophenoxy)-N-propan-2-ylpropan-1-amine
CID 43381859
1-(3-bromopropoxy)-2-methyl-3-nitrobenzene
CID 43437961
1-but-3-ynoxy-2-methyl-3-nitrobenzene
CID 63655623
1-(bromomethoxy)-2-methyl-3-nitrobenzene
CID 67096067
(2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol
CID 106933007
2-(2-methyl-3-nitrophenoxy)acetamide
CID 47214184
2,2-dimethyl-5-(2-methyl-3-nitrophenoxy)pentanenitrile
CID 65257329
4-(2-methyl-3-nitrophenoxy)-2-(propylamino)butanamide
CID 63041100
2-(4-iodo-2-nitrophenoxy)-N-methylethanamine
CID 66080361
4-[2-(2-methyl-3-nitrophenoxy)ethyl]piperidine
CID 105061214
(2R)-3-(2-methyl-3-nitrophenoxy)propane-1,2-diol
CID 13192797

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine?
The IUPAC name of N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine (CID 43437970) is N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine?
The canonical SMILES for N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine is CNCCOc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine?
The InChIKey is YYRXAVCHPWKBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-8-9(12(13)14)4-3-5-10(8)15-7-6-11-2/h3-5,11H,6-7H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine?
N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine has a molecular weight of 210.23 g/mol, XLogP of 1.50, 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-3-nitrophenoxy)ethanamine is sourced from PubChem (CID 43437970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).