1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine

C15H16N2O4 — CID 102702770

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

About 1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine

1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine (PubChem CID 102702770) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine
PubChem CID102702770
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine
SMILESCOc1ccc([N+](=O)[O-])c(Oc2cccc(C(C)N)c2)c1
InChIInChI=1S/C15H16N2O4/c1-10(16)11-4-3-5-13(8-11)21-15-9-12(20-2)6-7-14(15)17(18)19/h3-10H,16H2,1-2H3
InChIKeyBZSDXFIKHKWGPG-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-(4-methoxy-2-nitrophenoxy)phenyl]ethanamine
CID 79166618
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
4-(5-methoxy-2-nitrophenoxy)pyridin-2-amine
CID 102703861
3-(4-methoxy-2-nitrophenoxy)aniline
CID 54908684
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 102702826
[4-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]hydrazine
CID 102703909
1-[3-(3-bromo-5-nitrophenoxy)phenyl]ethanamine
CID 103588795
(1R)-1-[3-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 78937008
(1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine
CID 103201771

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine (CID 102702770) is 1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine is COc1ccc([N+](=O)[O-])c(Oc2cccc(C(C)N)c2)c1.
What is the InChIKey of 1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine?
The InChIKey is BZSDXFIKHKWGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10(16)11-4-3-5-13(8-11)21-15-9-12(20-2)6-7-14(15)17(18)19/h3-10H,16H2,1-2H3.
What are the key properties of 1-[3-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine?
1-[3-(5-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-(5-methoxy-2-nitrophenoxy)phenyl]ethanamine is sourced from PubChem (CID 102702770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).