N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
Basic information
- CAS
416885-67-1- Standard SMILES
COc1ccc(CCNc2ccc([N+](=O)[O-])cn2)cc1- InChIKey
SDWRIGXVPZQCQN-UHFFFAOYSA-N- Molecular formula
- C14H15N3O3
- Average molar mass
- 273.29 g/mol
- Monoisotopic mass
- 273.11134135
Names & identifiers
- Preferred name
- N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
- IUPAC
- N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
Names & synonyms
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine416885-67-1N-[2-(4-methoxyphenyl)ethyl]-5-nitro-2-pyridinamineCambridge id 5489253Oprea1_510470MLS001164365CHEMBL1462732DTXSID101320111HMS2834A24AKOS001314024SMR000496568AB00086902-01
Show more names
SR-01000210847SR-01000210847-1Z86249371
Database identifiers
- CAS
416885-67-1- PubChem CID
- 2849092
- DTXSID
DTXSID101320111- ChEMBL
CHEMBL1462732
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
Solubility7.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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