N,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine

C11H16N2O3 — CID 887509

IUPACN,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine
SMILESCc1ccc(OCCN(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O3/c1-9-4-5-11(10(8-9)13(14)15)16-7-6-12(2)3/h4-5,8H,6-7H2,1-3H3
InChIKeyVMLDVCLAWICHJF-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.84
Rot. Bonds5

About N,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine

N,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine (PubChem CID 887509) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine
PubChem CID887509
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine
SMILESCc1ccc(OCCN(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O3/c1-9-4-5-11(10(8-9)13(14)15)16-7-6-12(2)3/h4-5,8H,6-7H2,1-3H3
InChIKeyVMLDVCLAWICHJF-UHFFFAOYSA-N
XLogP1.84
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine?
The IUPAC name of N,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine (CID 887509) is N,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine is Cc1ccc(OCCN(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of N,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine?
The InChIKey is VMLDVCLAWICHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-9-4-5-11(10(8-9)13(14)15)16-7-6-12(2)3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine?
N,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine has a molecular weight of 224.26 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methyl-2-nitrophenoxy)ethanamine is sourced from PubChem (CID 887509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).