hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine

C11H19N3O — CID 116947422

IUPAChydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine
SMILESCOc1ccc(C(C)C)cc1C(N)NN
InChIInChI=1S/C11H19N3O/c1-7(2)8-4-5-10(15-3)9(6-8)11(12)14-13/h4-7,11,14H,12-13H2,1-3H3
InChIKeyROVFSZXMVIFXCM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.24
Rot. Bonds4

About hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine

hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine (PubChem CID 116947422) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Namehydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine
PubChem CID116947422
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Namehydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine
SMILESCOc1ccc(C(C)C)cc1C(N)NN
InChIInChI=1S/C11H19N3O/c1-7(2)8-4-5-10(15-3)9(6-8)11(12)14-13/h4-7,11,14H,12-13H2,1-3H3
InChIKeyROVFSZXMVIFXCM-UHFFFAOYSA-N
XLogP1.24
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
1-(2-methoxy-4-propan-2-ylphenyl)ethylhydrazine
CID 82470592
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024
2-amino-1-(2-methoxy-5-propan-2-ylphenyl)ethanethiol
CID 116868593
2-amino-2-(2-methoxy-5-propan-2-ylphenyl)acetaldehyde
CID 116939012
(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954637
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
CID 116947406
methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene
CID 158966469
(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084

Frequently Asked Questions

What is the IUPAC name of hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine?
The IUPAC name of hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine (CID 116947422) is hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine.
What is the SMILES notation for hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine?
The canonical SMILES for hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine is COc1ccc(C(C)C)cc1C(N)NN.
What is the InChIKey of hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine?
The InChIKey is ROVFSZXMVIFXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)8-4-5-10(15-3)9(6-8)11(12)14-13/h4-7,11,14H,12-13H2,1-3H3.
What are the key properties of hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine?
hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 116947422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).