N-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine

C24H26N2O6 — CID 52942152

IUPACN-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine
SMILESCOc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H26N2O6/c1-29-23-13-7-10-20(26(27)28)24(23)31-17-15-25-14-16-30-21-11-5-6-12-22(21)32-18-19-8-3-2-4-9-19/h2-13,25H,14-18H2,1H3
InChIKeyLYVYZEAKTYROJI-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.23
Rot. Bonds13

About N-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine

N-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine (PubChem CID 52942152) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine
PubChem CID52942152
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC NameN-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine
SMILESCOc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H26N2O6/c1-29-23-13-7-10-20(26(27)28)24(23)31-17-15-25-14-16-30-21-11-5-6-12-22(21)32-18-19-8-3-2-4-9-19/h2-13,25H,14-18H2,1H3
InChIKeyLYVYZEAKTYROJI-UHFFFAOYSA-N
XLogP4.23
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine?
The IUPAC name of N-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine (CID 52942152) is N-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine.
What is the SMILES notation for N-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine?
The canonical SMILES for N-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine is COc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1.
What is the InChIKey of N-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine?
The InChIKey is LYVYZEAKTYROJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-29-23-13-7-10-20(26(27)28)24(23)31-17-15-25-14-16-30-21-11-5-6-12-22(21)32-18-19-8-3-2-4-9-19/h2-13,25H,14-18H2,1H3.
What are the key properties of N-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine?
N-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine has a molecular weight of 438.48 g/mol, XLogP of 4.23, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-6-nitrophenoxy)ethyl]-2-(2-phenylmethoxyphenoxy)ethanamine is sourced from PubChem (CID 52942152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).