4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium

C14H14N3O2+ — CID 58689931

IUPAC4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium
SMILESCOc1cc(-c2ccc([N+]#N)c(OC)c2)ccc1N
InChIInChI=1S/C14H14N3O2/c1-18-13-7-9(3-5-11(13)15)10-4-6-12(17-16)14(8-10)19-2/h3-8H,15H2,1-2H3/q+1
InChIKeyLKJFCZKAANHBJC-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.44
Rot. Bonds3

About 4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium

4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium (PubChem CID 58689931) has the molecular formula C14H14N3O2+ and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium.

Molecular Properties

Compound Name4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium
PubChem CID58689931
Molecular FormulaC14H14N3O2+
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium
SMILESCOc1cc(-c2ccc([N+]#N)c(OC)c2)ccc1N
InChIInChI=1S/C14H14N3O2/c1-18-13-7-9(3-5-11(13)15)10-4-6-12(17-16)14(8-10)19-2/h3-8H,15H2,1-2H3/q+1
InChIKeyLKJFCZKAANHBJC-UHFFFAOYSA-N
XLogP3.44
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
2-amino-5-(4-amino-3-methoxyphenyl)phenol
CID 131862396
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole
CID 175609219
4-(3-chlorophenyl)-2-methoxyaniline
CID 164513717
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;4-propan-2-ylbenzene-1,3-diamine
CID 70518337
boric acid;dihydrogen borate;2-methoxy-4-nitrobenzenediazonium
CID 173223766
4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide
CID 59842978
4-(2,4-dichlorophenyl)-2-methoxyaniline
CID 164513719
CID 123653070
CID 123653070
2-methoxybenzenediazonium chloride
CID 10920957
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyaniline
CID 82472145

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium?
The IUPAC name of 4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium (CID 58689931) is 4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium.
What is the SMILES notation for 4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium?
The canonical SMILES for 4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium is COc1cc(-c2ccc([N+]#N)c(OC)c2)ccc1N.
What is the InChIKey of 4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium?
The InChIKey is LKJFCZKAANHBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N3O2/c1-18-13-7-9(3-5-11(13)15)10-4-6-12(17-16)14(8-10)19-2/h3-8H,15H2,1-2H3/q+1.
What are the key properties of 4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium?
4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium has a molecular weight of 256.28 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium is sourced from PubChem (CID 58689931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).