N-ethyl-N-[(4-nitrophenyl)methyl]ethanamine

HCID 412435

Notes Reactions

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Basic information

CAS: 6314-55-2
Standard SMILES: CCN(CC)Cc1ccc([N+](=O)[O-])cc1
InChIKey: OENCDYVUUXJNLG-UHFFFAOYSA-N
Molecular formula: C11H16N2O2
Average molar mass: 208.26 g/mol
Monoisotopic mass: 208.12117776

Names & identifiers

Preferred name: N-ethyl-N-[(4-nitrophenyl)methyl]ethanamine
IUPAC: N-ethyl-N-[(4-nitrophenyl)methyl]ethanamine

Names & synonyms

N-ethyl-N-[(4-nitrophenyl)methyl]ethanamine6314-55-2N,N-Diethyl-p-nitrobenzylamine27959-08-6SCHEMBL3157181DTXSID90328609OENCDYVUUXJNLG-UHFFFAOYSA-Nn,n-diethyl-n-(4-nitrobenzyl)amineN-ethyl-N-(4-nitrobenzyl)ethanamineAKOS025146424DA-42922

Database identifiers

CAS: 6314-55-2
PubChem CID: 412435
DTXSID: DTXSID90328609
Nikkaji: J3.656.037A

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 49.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 191

Related reactions

7 records

New reaction record

HRID 492247As productuspto-grants-2009_05

HRID 641057As productuspto-grants-2010_04

HRID 641058As reactantuspto-grants-2010_04

HRID 696620As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 836723As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 2352989As productuspto-grants-2010_07

HRID 2352990As reactantuspto-grants-2010_07

Compound notes

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