4-(diazonioamino)-1-methoxy-2-methylbenzene

C8H10N3O+ — CID 163519051

IUPAC4-(diazonioamino)-1-methoxy-2-methylbenzene
SMILESCOc1ccc(N[N+]#N)cc1C
InChIInChI=1S/C8H10N3O/c1-6-5-7(10-11-9)3-4-8(6)12-2/h3-5,10H,1-2H3/q+1
InChIKeyXCIOXWOUGXTYJM-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.18
Rot. Bonds2

About 4-(diazonioamino)-1-methoxy-2-methylbenzene

4-(diazonioamino)-1-methoxy-2-methylbenzene (PubChem CID 163519051) has the molecular formula C8H10N3O+ and a molecular weight of 164.19 g/mol. Its IUPAC name is 4-(diazonioamino)-1-methoxy-2-methylbenzene.

Molecular Properties

Compound Name4-(diazonioamino)-1-methoxy-2-methylbenzene
PubChem CID163519051
Molecular FormulaC8H10N3O+
Molecular Weight164.19 g/mol
Exact Mass164.08
IUPAC Name4-(diazonioamino)-1-methoxy-2-methylbenzene
SMILESCOc1ccc(N[N+]#N)cc1C
InChIInChI=1S/C8H10N3O/c1-6-5-7(10-11-9)3-4-8(6)12-2/h3-5,10H,1-2H3/q+1
InChIKeyXCIOXWOUGXTYJM-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
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CID 169444379
2-N-(4-methoxy-3-methylphenyl)-2-methylpropane-1,2-diamine
CID 115131601
N-(4-methoxy-3-methylphenyl)-1-oxothian-4-amine
CID 54981489
3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine
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2-methoxy-N-(4-methoxy-3-methylphenyl)propanamide
CID 47317942

Frequently Asked Questions

What is the IUPAC name of 4-(diazonioamino)-1-methoxy-2-methylbenzene?
The IUPAC name of 4-(diazonioamino)-1-methoxy-2-methylbenzene (CID 163519051) is 4-(diazonioamino)-1-methoxy-2-methylbenzene.
What is the SMILES notation for 4-(diazonioamino)-1-methoxy-2-methylbenzene?
The canonical SMILES for 4-(diazonioamino)-1-methoxy-2-methylbenzene is COc1ccc(N[N+]#N)cc1C.
What is the InChIKey of 4-(diazonioamino)-1-methoxy-2-methylbenzene?
The InChIKey is XCIOXWOUGXTYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N3O/c1-6-5-7(10-11-9)3-4-8(6)12-2/h3-5,10H,1-2H3/q+1.
What are the key properties of 4-(diazonioamino)-1-methoxy-2-methylbenzene?
4-(diazonioamino)-1-methoxy-2-methylbenzene has a molecular weight of 164.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diazonioamino)-1-methoxy-2-methylbenzene is sourced from PubChem (CID 163519051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).