3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide

C13H20BrN3O2 — CID 116848856

IUPAC3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
SMILESCOc1c(C)c(C)c(Br)c(C)c1C(N)CC(=O)NN
InChIInChI=1S/C13H20BrN3O2/c1-6-7(2)13(19-4)11(8(3)12(6)14)9(15)5-10(18)17-16/h9H,5,15-16H2,1-4H3,(H,17,18)
InChIKeyILUFYYBWNPXRKE-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.76
Rot. Bonds4

About 3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide

3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide (PubChem CID 116848856) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide.

Molecular Properties

Compound Name3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
PubChem CID116848856
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
SMILESCOc1c(C)c(C)c(Br)c(C)c1C(N)CC(=O)NN
InChIInChI=1S/C13H20BrN3O2/c1-6-7(2)13(19-4)11(8(3)12(6)14)9(15)5-10(18)17-16/h9H,5,15-16H2,1-4H3,(H,17,18)
InChIKeyILUFYYBWNPXRKE-UHFFFAOYSA-N
XLogP1.76
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-diamino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116942465
4-amino-4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butanenitrile
CID 116940096
(E)-4-amino-4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)but-2-enoic acid
CID 116940947
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 116855759
2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116928722
3-amino-3-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)propanoic acid
CID 117488976
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-chloro-N-methylethanamine
CID 116952703
2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylacetohydrazide
CID 116847529
3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
CID 116848790
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730
3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3-(dimethylamino)propanenitrile
CID 116910004
2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116859290

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide?
The IUPAC name of 3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide (CID 116848856) is 3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide.
What is the SMILES notation for 3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide?
The canonical SMILES for 3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide is COc1c(C)c(C)c(Br)c(C)c1C(N)CC(=O)NN.
What is the InChIKey of 3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide?
The InChIKey is ILUFYYBWNPXRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-6-7(2)13(19-4)11(8(3)12(6)14)9(15)5-10(18)17-16/h9H,5,15-16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide?
3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide has a molecular weight of 330.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanehydrazide is sourced from PubChem (CID 116848856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).