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The molecular formula of N,N-Diethyl-3-nitro-benzeneethanamine is C12H18N2O2.
The molecular weight of N,N-Diethyl-3-nitro-benzeneethanamine is 222.28 g/mol.
The IUPAC name of N,N-Diethyl-3-nitro-benzeneethanamine is N,N-diethyl-2-(3-nitrophenyl)ethanamine.
The InChI of N,N-Diethyl-3-nitro-benzeneethanamine is InChI=1S/C12H18N2O2/c1-3-13(4-2)9-8-11-6-5-7-12(10-11)14(15)16/h5-7,10H,3-4,8-9H2,1-2H3.
The InChIKey of N,N-Diethyl-3-nitro-benzeneethanamine is MGOKLRJHSRUNBC-UHFFFAOYSA-N.
The canonical SMILES of N,N-Diethyl-3-nitro-benzeneethanamine is CCN(CC)CCC1=CC(=CC=C1)[N+](=O)[O-].
The XLogP3 value of N,N-Diethyl-3-nitro-benzeneethanamine is 3.1.
N,N-Diethyl-3-nitro-benzeneethanamine doesn't have any hydrogen bond donor count.
N,N-Diethyl-3-nitro-benzeneethanamine has 3 hydrogen bond acceptor count.
N,N-Diethyl-3-nitro-benzeneethanamine has 5 rotatable bond count.
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