5-[(3-methoxyphenyl)methoxy]-2-nitroaniline

C14H14N2O4 — CID 106751925

IUPAC5-[(3-methoxyphenyl)methoxy]-2-nitroaniline
SMILESCOc1cccc(COc2ccc([N+](=O)[O-])c(N)c2)c1
InChIInChI=1S/C14H14N2O4/c1-19-11-4-2-3-10(7-11)9-20-12-5-6-14(16(17)18)13(15)8-12/h2-8H,9,15H2,1H3
InChIKeyZJNRCWGFVLETQF-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.76
Rot. Bonds5

About 5-[(3-methoxyphenyl)methoxy]-2-nitroaniline

5-[(3-methoxyphenyl)methoxy]-2-nitroaniline (PubChem CID 106751925) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methoxy]-2-nitroaniline.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methoxy]-2-nitroaniline
PubChem CID106751925
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-[(3-methoxyphenyl)methoxy]-2-nitroaniline
SMILESCOc1cccc(COc2ccc([N+](=O)[O-])c(N)c2)c1
InChIInChI=1S/C14H14N2O4/c1-19-11-4-2-3-10(7-11)9-20-12-5-6-14(16(17)18)13(15)8-12/h2-8H,9,15H2,1H3
InChIKeyZJNRCWGFVLETQF-UHFFFAOYSA-N
XLogP2.76
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
1-N-[(3-methoxyphenyl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749024
[3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine
CID 62116037
4-[(3-ethoxyphenoxy)methyl]-2-nitroaniline
CID 62335610
2-nitro-5-(2-phenylmethoxyethoxy)aniline
CID 21450211
[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
CID 28963761
methyl 3-[(4-amino-3-nitrophenoxy)methyl]benzoate
CID 10662091
2-nitro-5-(3-phenylpropoxy)aniline
CID 106752038
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
1-ethyl-3-[(3-nitrophenyl)methoxy]benzene
CID 60627241
[3-[(3-nitrophenyl)methoxy]phenyl]methanamine
CID 60880181
5-[(2-bromophenyl)methoxy]-2-nitroaniline
CID 106752101

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methoxy]-2-nitroaniline?
The IUPAC name of 5-[(3-methoxyphenyl)methoxy]-2-nitroaniline (CID 106751925) is 5-[(3-methoxyphenyl)methoxy]-2-nitroaniline.
What is the SMILES notation for 5-[(3-methoxyphenyl)methoxy]-2-nitroaniline?
The canonical SMILES for 5-[(3-methoxyphenyl)methoxy]-2-nitroaniline is COc1cccc(COc2ccc([N+](=O)[O-])c(N)c2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methoxy]-2-nitroaniline?
The InChIKey is ZJNRCWGFVLETQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-19-11-4-2-3-10(7-11)9-20-12-5-6-14(16(17)18)13(15)8-12/h2-8H,9,15H2,1H3.
What are the key properties of 5-[(3-methoxyphenyl)methoxy]-2-nitroaniline?
5-[(3-methoxyphenyl)methoxy]-2-nitroaniline has a molecular weight of 274.28 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methoxy]-2-nitroaniline is sourced from PubChem (CID 106751925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).