azane;2-(2-methoxy-4-nitrophenyl)ethanamine

C9H15N3O3 — CID 19827481

IUPACazane;2-(2-methoxy-4-nitrophenyl)ethanamine
SMILESCOc1cc([N+](=O)[O-])ccc1CCN.N
InChIInChI=1S/C9H12N2O3.H3N/c1-14-9-6-8(11(12)13)3-2-7(9)4-5-10;/h2-3,6H,4-5,10H2,1H3;1H3
InChIKeyCYZFFCSJTKPOFV-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.27
Rot. Bonds4

About azane;2-(2-methoxy-4-nitrophenyl)ethanamine

azane;2-(2-methoxy-4-nitrophenyl)ethanamine (PubChem CID 19827481) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is azane;2-(2-methoxy-4-nitrophenyl)ethanamine.

Molecular Properties

Compound Nameazane;2-(2-methoxy-4-nitrophenyl)ethanamine
PubChem CID19827481
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Nameazane;2-(2-methoxy-4-nitrophenyl)ethanamine
SMILESCOc1cc([N+](=O)[O-])ccc1CCN.N
InChIInChI=1S/C9H12N2O3.H3N/c1-14-9-6-8(11(12)13)3-2-7(9)4-5-10;/h2-3,6H,4-5,10H2,1H3;1H3
InChIKeyCYZFFCSJTKPOFV-UHFFFAOYSA-N
XLogP1.27
TPSA113.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
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

3-(2-methoxy-4-nitrophenyl)propanoic acid
CID 163661297
3-(2-methoxy-4-nitrophenyl)-N,N-dimethylpropan-1-amine
CID 170865540
2-(2-methyl-4-nitrophenyl)ethanamine
CID 130050826
1-(2,2-dimethylpropyl)-2-methoxy-4-nitrobenzene
CID 57080324
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
2-(4-nitro-2-propylphenyl)ethanamine
CID 152751761
methyl (2R)-2-amino-3-(2-methoxy-4-nitrophenyl)propanoate
CID 171238011
[4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanamine
CID 114856723
ethane;2-methoxy-4-nitrophenol
CID 91188946
dichloromethane;2-methoxy-4-nitrophenol
CID 141183892
[4-bromo-2-(2-methoxy-5-nitrophenoxy)phenyl]methanamine
CID 61032055
1-[(2-methoxy-4-nitrophenyl)methyl]-4-methylpiperazine
CID 57421477

Frequently Asked Questions

What is the IUPAC name of azane;2-(2-methoxy-4-nitrophenyl)ethanamine?
The IUPAC name of azane;2-(2-methoxy-4-nitrophenyl)ethanamine (CID 19827481) is azane;2-(2-methoxy-4-nitrophenyl)ethanamine.
What is the SMILES notation for azane;2-(2-methoxy-4-nitrophenyl)ethanamine?
The canonical SMILES for azane;2-(2-methoxy-4-nitrophenyl)ethanamine is COc1cc([N+](=O)[O-])ccc1CCN.N.
What is the InChIKey of azane;2-(2-methoxy-4-nitrophenyl)ethanamine?
The InChIKey is CYZFFCSJTKPOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3.H3N/c1-14-9-6-8(11(12)13)3-2-7(9)4-5-10;/h2-3,6H,4-5,10H2,1H3;1H3.
What are the key properties of azane;2-(2-methoxy-4-nitrophenyl)ethanamine?
azane;2-(2-methoxy-4-nitrophenyl)ethanamine has a molecular weight of 213.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(2-methoxy-4-nitrophenyl)ethanamine is sourced from PubChem (CID 19827481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).