5-(dimethylamino)-2-methoxybenzenediazonium

C9H12N3O+ — CID 57013987

IUPAC5-(dimethylamino)-2-methoxybenzenediazonium
SMILESCOc1ccc(N(C)C)cc1[N+]#N
InChIInChI=1S/C9H12N3O/c1-12(2)7-4-5-9(13-3)8(6-7)11-10/h4-6H,1-3H3/q+1
InChIKeyPSGWPGXOHBWXDT-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.25
Rot. Bonds2

About 5-(dimethylamino)-2-methoxybenzenediazonium

5-(dimethylamino)-2-methoxybenzenediazonium (PubChem CID 57013987) has the molecular formula C9H12N3O+ and a molecular weight of 178.21 g/mol. Its IUPAC name is 5-(dimethylamino)-2-methoxybenzenediazonium.

Molecular Properties

Compound Name5-(dimethylamino)-2-methoxybenzenediazonium
PubChem CID57013987
Molecular FormulaC9H12N3O+
Molecular Weight178.21 g/mol
Exact Mass178.10
IUPAC Name5-(dimethylamino)-2-methoxybenzenediazonium
SMILESCOc1ccc(N(C)C)cc1[N+]#N
InChIInChI=1S/C9H12N3O/c1-12(2)7-4-5-9(13-3)8(6-7)11-10/h4-6H,1-3H3/q+1
InChIKeyPSGWPGXOHBWXDT-UHFFFAOYSA-N
XLogP2.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine
CID 30029908
3-iodo-4-methoxy-N,N-dimethylaniline
CID 131552436
4-(dimethylamino)-2-methylbenzenediazonium;zinc;chloride
CID 88518290
4-(dimethylamino)-2,5-dimethoxybenzenediazonium;zinc;chloride;hydrochloride
CID 173365483
N-[4-(dimethylamino)-2-methoxyphenyl]formamide
CID 168653974
2-methoxy-5-sulfobenzenediazonium
CID 134929744
5-formamido-2-methoxybenzenediazonium
CID 87219285
2-amino-1-[5-(dimethylamino)-2-methoxyphenyl]ethanol
CID 117300657
4-(dimethylamino)-2-methylbenzenediazonium;pentafluoro-λ5-phosphane;fluoride
CID 91496119
N-[[5-(dimethylamino)-2-methoxyphenyl]methyl]hydroxylamine
CID 117286391
2-diazonio-5-(dimethylamino)benzoate
CID 172813692
CID 119077121
CID 119077121

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-methoxybenzenediazonium?
The IUPAC name of 5-(dimethylamino)-2-methoxybenzenediazonium (CID 57013987) is 5-(dimethylamino)-2-methoxybenzenediazonium.
What is the SMILES notation for 5-(dimethylamino)-2-methoxybenzenediazonium?
The canonical SMILES for 5-(dimethylamino)-2-methoxybenzenediazonium is COc1ccc(N(C)C)cc1[N+]#N.
What is the InChIKey of 5-(dimethylamino)-2-methoxybenzenediazonium?
The InChIKey is PSGWPGXOHBWXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N3O/c1-12(2)7-4-5-9(13-3)8(6-7)11-10/h4-6H,1-3H3/q+1.
What are the key properties of 5-(dimethylamino)-2-methoxybenzenediazonium?
5-(dimethylamino)-2-methoxybenzenediazonium has a molecular weight of 178.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-methoxybenzenediazonium is sourced from PubChem (CID 57013987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).