(1-methoxy-1-phenylethyl)-propan-2-yldiazene

C12H18N2O — CID 14685410

IUPAC(1-methoxy-1-phenylethyl)-propan-2-yldiazene
SMILESCOC(C)(/N=N/C(C)C)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-10(2)13-14-12(3,15-4)11-8-6-5-7-9-11/h5-10H,1-4H3/b14-13+
InChIKeyAGNUPJONNZJANK-BUHFOSPRSA-N
MW206.29 g/mol
LogP3.37
Rot. Bonds4

About (1-methoxy-1-phenylethyl)-propan-2-yldiazene

(1-methoxy-1-phenylethyl)-propan-2-yldiazene (PubChem CID 14685410) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (1-methoxy-1-phenylethyl)-propan-2-yldiazene.

Molecular Properties

Compound Name(1-methoxy-1-phenylethyl)-propan-2-yldiazene
PubChem CID14685410
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(1-methoxy-1-phenylethyl)-propan-2-yldiazene
SMILESCOC(C)(/N=N/C(C)C)c1ccccc1
InChIInChI=1S/C12H18N2O/c1-10(2)13-14-12(3,15-4)11-8-6-5-7-9-11/h5-10H,1-4H3/b14-13+
InChIKeyAGNUPJONNZJANK-BUHFOSPRSA-N
XLogP3.37
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2-((Propan-2-yloxy)methyl)phenyl)methanamine
CID 18070374
1-(4-Methoxymethylphenyl)ethylamine
CID 591393
1-[3-(Methoxymethyl)phenyl]ethan-1-amine
CID 84652207
1-Methoxy-n,n-dimethyl-1,1-diphenylmethanamine
CID 219164
2,2,2-Trifluoro-1-methoxy-1-phenylethanamine
CID 12164756
2,5-Diphenyl-2,5-dihydro-1,3,4-oxadiazole
CID 456811
Methoxy benzyl azide
CID 11217423
Benzene, [azido(phenylmethoxy)methyl]-
CID 11287883
2-Methoxy-1,2-diphenylethylamine
CID 12843502
(E)-1-tert-Butyl-2-(1-methoxy-1-phenylethyl)diazene
CID 14685408
[Methoxy(nitroso)methyl]benzene
CID 53642879
2-Azidopropoxymethylbenzene
CID 86060396

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1-phenylethyl)-propan-2-yldiazene?
The IUPAC name of (1-methoxy-1-phenylethyl)-propan-2-yldiazene (CID 14685410) is (1-methoxy-1-phenylethyl)-propan-2-yldiazene.
What is the SMILES notation for (1-methoxy-1-phenylethyl)-propan-2-yldiazene?
The canonical SMILES for (1-methoxy-1-phenylethyl)-propan-2-yldiazene is COC(C)(/N=N/C(C)C)c1ccccc1.
What is the InChIKey of (1-methoxy-1-phenylethyl)-propan-2-yldiazene?
The InChIKey is AGNUPJONNZJANK-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(2)13-14-12(3,15-4)11-8-6-5-7-9-11/h5-10H,1-4H3/b14-13+.
What are the key properties of (1-methoxy-1-phenylethyl)-propan-2-yldiazene?
(1-methoxy-1-phenylethyl)-propan-2-yldiazene has a molecular weight of 206.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1-phenylethyl)-propan-2-yldiazene is sourced from PubChem (CID 14685410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).