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

C14H23N3O3 — CID 62209632

IUPACN-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline
SMILESCCNc1ccc(CN(CC)CCOC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H23N3O3/c1-4-15-13-7-6-12(10-14(13)17(18)19)11-16(5-2)8-9-20-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3
InChIKeySPXGLABJYSQIJW-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.49
Rot. Bonds9

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

N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline (PubChem CID 62209632) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline.

Molecular Properties

Compound NameN-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline
PubChem CID62209632
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline
SMILESCCNc1ccc(CN(CC)CCOC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H23N3O3/c1-4-15-13-7-6-12(10-14(13)17(18)19)11-16(5-2)8-9-20-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3
InChIKeySPXGLABJYSQIJW-UHFFFAOYSA-N
XLogP2.49
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
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

N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 62244966
2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine
CID 63690351
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62247011
N-ethyl-4-(2-methoxyethoxymethyl)-2-nitroaniline
CID 62194607
4-[[ethyl(propyl)amino]methyl]-N-methyl-2-nitroaniline
CID 62182905
N-ethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2-nitroaniline
CID 81063031
4-[[3-methoxypropyl(methyl)amino]methyl]-2-nitro-N-propylaniline
CID 63008996
4-[[butyl(ethyl)amino]methyl]-N-methyl-2-nitroaniline
CID 62181996
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine
CID 55051188
N-ethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-nitroaniline
CID 62184191
3-[[4-(ethylamino)-3-nitrophenyl]methyl-propan-2-ylamino]propan-1-ol
CID 62209172
4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)-2-nitroaniline
CID 107081496

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline?
The IUPAC name of N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline (CID 62209632) is N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline.
What is the SMILES notation for N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline?
The canonical SMILES for N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline is CCNc1ccc(CN(CC)CCOC)cc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline?
The InChIKey is SPXGLABJYSQIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-15-13-7-6-12(10-14(13)17(18)19)11-16(5-2)8-9-20-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline?
N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline has a molecular weight of 281.36 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[ethyl(2-methoxyethyl)amino]methyl]-2-nitroaniline is sourced from PubChem (CID 62209632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).