2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline

C15H25N3O3 — CID 63691754

IUPAC2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline
SMILESCCNc1ccc([N+](=O)[O-])cc1CN(CC)CCOCC
InChIInChI=1S/C15H25N3O3/c1-4-16-15-8-7-14(18(19)20)11-13(15)12-17(5-2)9-10-21-6-3/h7-8,11,16H,4-6,9-10,12H2,1-3H3
InChIKeyANFFPQSVCVBQHI-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.88
Rot. Bonds10

About 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline

2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline (PubChem CID 63691754) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline
PubChem CID63691754
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline
SMILESCCNc1ccc([N+](=O)[O-])cc1CN(CC)CCOCC
InChIInChI=1S/C15H25N3O3/c1-4-16-15-8-7-14(18(19)20)11-13(15)12-17(5-2)9-10-21-6-3/h7-8,11,16H,4-6,9-10,12H2,1-3H3
InChIKeyANFFPQSVCVBQHI-UHFFFAOYSA-N
XLogP2.88
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(dipropylamino)methyl]-N-ethyl-4-nitroaniline
CID 62183553
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-nitroaniline
CID 107351326
2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine
CID 63690351
N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline
CID 62209632
N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline
CID 43591241
3-[cyclopropyl-[[2-(ethylamino)-5-nitrophenyl]methyl]amino]propanenitrile
CID 62209599
2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide
CID 62148765
N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline
CID 162495808
2-[[ethyl(2-methylbutyl)amino]methyl]-N-methyl-4-nitroaniline
CID 79481333
3-[ethyl-[(2-methoxy-5-nitrophenyl)methyl]amino]propanenitrile
CID 54992822
N-ethyl-4-nitro-2-(thiophen-2-ylmethoxymethyl)aniline
CID 62188718
N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-nitroaniline
CID 62183100

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline?
The IUPAC name of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline (CID 63691754) is 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline.
What is the SMILES notation for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline?
The canonical SMILES for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline is CCNc1ccc([N+](=O)[O-])cc1CN(CC)CCOCC.
What is the InChIKey of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline?
The InChIKey is ANFFPQSVCVBQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-4-16-15-8-7-14(18(19)20)11-13(15)12-17(5-2)9-10-21-6-3/h7-8,11,16H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline?
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline has a molecular weight of 295.38 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-4-nitroaniline is sourced from PubChem (CID 63691754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).