3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline

C14H21N3O4 — CID 63671087

IUPAC3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline
SMILESCCOc1cc(NCCN2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-2-21-14-11-12(3-4-13(14)17(18)19)15-5-6-16-7-9-20-10-8-16/h3-4,11,15H,2,5-10H2,1H3
InChIKeyLIIGQBQEWWVAHA-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.74
Rot. Bonds7

About 3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline

3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline (PubChem CID 63671087) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline.

Molecular Properties

Compound Name3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline
PubChem CID63671087
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline
SMILESCCOc1cc(NCCN2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-2-21-14-11-12(3-4-13(14)17(18)19)15-5-6-16-7-9-20-10-8-16/h3-4,11,15H,2,5-10H2,1H3
InChIKeyLIIGQBQEWWVAHA-UHFFFAOYSA-N
XLogP1.74
TPSA76.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-(2-morpholin-4-ylethylamino)-2-nitrobenzonitrile
CID 115348699
N-[2-(azepan-1-yl)ethyl]-3-methoxy-4-nitroaniline
CID 63672136
3-ethoxy-N-(2-methylsulfanylethyl)-4-nitroaniline
CID 63965225
3-ethoxy-N-(3-methylbutyl)-4-nitroaniline
CID 63671590
3-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]-4-nitroaniline
CID 79083323
N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-4-nitroaniline
CID 103844258
3-ethoxy-4-nitro-N-(2-phenylethyl)aniline
CID 63671420
N-(3-ethoxy-4-nitrophenyl)-N',N'-dimethylbutane-1,4-diamine
CID 63671822
4-methoxy-3-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82096092
3-ethoxy-4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 63670583
N-[2-(cyclopropylmethoxy)ethyl]-3-ethoxy-4-nitroaniline
CID 103731175
2-(3-ethoxy-4-nitroanilino)-1-pyrrolidin-1-ylethanone
CID 115669367

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline?
The IUPAC name of 3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline (CID 63671087) is 3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline.
What is the SMILES notation for 3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline?
The canonical SMILES for 3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline is CCOc1cc(NCCN2CCOCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline?
The InChIKey is LIIGQBQEWWVAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-21-14-11-12(3-4-13(14)17(18)19)15-5-6-16-7-9-20-10-8-16/h3-4,11,15H,2,5-10H2,1H3.
What are the key properties of 3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline?
3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline has a molecular weight of 295.34 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline is sourced from PubChem (CID 63671087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).