2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine

C10H15N3O3 — CID 83013842

IUPAC2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine
SMILESCOc1ccc(CNN(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-12(2)11-7-8-4-5-10(16-3)9(6-8)13(14)15/h4-6,11H,7H2,1-3H3
InChIKeyAKYJOIJDLQQDDL-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.17
Rot. Bonds5

About 2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine

2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine (PubChem CID 83013842) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine
PubChem CID83013842
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine
SMILESCOc1ccc(CNN(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-12(2)11-7-8-4-5-10(16-3)9(6-8)13(14)15/h4-6,11H,7H2,1-3H3
InChIKeyAKYJOIJDLQQDDL-UHFFFAOYSA-N
XLogP1.17
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine
CID 29045280
3-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pentan-3-amine
CID 65039851
4-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]aniline
CID 29053395
(1S)-N-[(4-methoxy-3-nitrophenyl)methyl]-1-phenylethanamine
CID 29048125
N'-(2-methoxyethyl)-N-[(4-methoxy-3-nitrophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62843985
2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
CID 17385923
2-[(4-methoxy-3-nitrophenyl)methylamino]propan-1-ol
CID 43499927
methyl 3-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propanoate
CID 62011082
N'-[(4-methoxy-3-nitrophenyl)methyl]-N'-methylethane-1,2-diamine
CID 55103758
2-[(4-methoxy-3-nitrophenyl)methylamino]-3-methylbutan-1-ol
CID 79249779
4-(2-chloroethyl)-1-methoxy-2-nitrobenzene
CID 19438355
methyl 3-(4-methoxy-3-nitrophenyl)-2-oxopropanoate
CID 96827543

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine?
The IUPAC name of 2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine (CID 83013842) is 2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine.
What is the SMILES notation for 2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine?
The canonical SMILES for 2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine is COc1ccc(CNN(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine?
The InChIKey is AKYJOIJDLQQDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-12(2)11-7-8-4-5-10(16-3)9(6-8)13(14)15/h4-6,11H,7H2,1-3H3.
What are the key properties of 2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine?
2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine has a molecular weight of 225.25 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine is sourced from PubChem (CID 83013842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).