2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine

C15H16N2O4 — CID 63773458

IUPAC2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine
SMILESCOc1ccc(OCC(N)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O4/c1-20-12-7-8-15(14(9-12)17(18)19)21-10-13(16)11-5-3-2-4-6-11/h2-9,13H,10,16H2,1H3
InChIKeyIUZILVGWMWOJDI-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.68
Rot. Bonds6

About 2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine

2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine (PubChem CID 63773458) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine
PubChem CID63773458
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine
SMILESCOc1ccc(OCC(N)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O4/c1-20-12-7-8-15(14(9-12)17(18)19)21-10-13(16)11-5-3-2-4-6-11/h2-9,13H,10,16H2,1H3
InChIKeyIUZILVGWMWOJDI-UHFFFAOYSA-N
XLogP2.68
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.68
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

2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 18076412
2-(2-fluoro-5-methyl-4-nitrophenoxy)-1-phenylethanamine
CID 114416740
1-(2-fluorophenyl)-2-(4-methoxy-2-nitrophenoxy)ethanol
CID 110885135
1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine
CID 79166618
3,3,3-trifluoro-2-[(4-methoxy-2-nitrophenoxy)methyl]propanenitrile
CID 103368358
methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate
CID 9338767
3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
CID 29015972
4-methoxy-1-[2-(4-methylphenoxy)ethoxy]-2-nitrobenzene
CID 55327751
1-(4-methoxy-2-nitrophenoxy)-2-methylbutan-2-amine
CID 64574065
N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide
CID 7473394
2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide
CID 103201521
(4-methoxy-2-nitrophenyl) propanoate
CID 58225888

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine?
The IUPAC name of 2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine (CID 63773458) is 2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine.
What is the SMILES notation for 2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine?
The canonical SMILES for 2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine is COc1ccc(OCC(N)c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine?
The InChIKey is IUZILVGWMWOJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-12-7-8-15(14(9-12)17(18)19)21-10-13(16)11-5-3-2-4-6-11/h2-9,13H,10,16H2,1H3.
What are the key properties of 2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine?
2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine has a molecular weight of 288.30 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine is sourced from PubChem (CID 63773458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).