1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine

C15H16N2O4 — CID 79166618

IUPAC1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine
SMILESCOc1ccc(Oc2cccc(C(C)N)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O4/c1-10(16)11-4-3-5-13(8-11)21-15-7-6-12(20-2)9-14(15)17(18)19/h3-10H,16H2,1-2H3
InChIKeyTZSMYMKZKOXWJO-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.42
Rot. Bonds5

About 1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine

1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine (PubChem CID 79166618) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine
PubChem CID79166618
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine
SMILESCOc1ccc(Oc2cccc(C(C)N)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O4/c1-10(16)11-4-3-5-13(8-11)21-15-7-6-12(20-2)9-14(15)17(18)19/h3-10H,16H2,1-2H3
InChIKeyTZSMYMKZKOXWJO-UHFFFAOYSA-N
XLogP3.42
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.42
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

1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine
CID 102702770
3-(4-methoxy-2-nitrophenoxy)aniline
CID 54908684
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
(1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine
CID 103201771
4-(4-methoxy-2-nitrophenoxy)aniline
CID 54908814
2,4-dinitro-1-(3-propan-2-ylphenoxy)benzene
CID 9108889
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
(1S)-1-[3-(2,4-dinitrophenoxy)phenyl]ethanol
CID 52506797
2-(4-methoxy-2-nitrophenoxy)-1-phenylethanamine
CID 63773458
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 62911214
4-methoxy-1-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 163575479

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine (CID 79166618) is 1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine is COc1ccc(Oc2cccc(C(C)N)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine?
The InChIKey is TZSMYMKZKOXWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10(16)11-4-3-5-13(8-11)21-15-7-6-12(20-2)9-14(15)17(18)19/h3-10H,16H2,1-2H3.
What are the key properties of 1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine?
1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine has a molecular weight of 288.30 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine is sourced from PubChem (CID 79166618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).