4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline

C13H19N3O3 — CID 62182229

IUPAC4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline
SMILESCCC1CN(Cc2ccc(N)c([N+](=O)[O-])c2)CCO1
InChIInChI=1S/C13H19N3O3/c1-2-11-9-15(5-6-19-11)8-10-3-4-12(14)13(7-10)16(17)18/h3-4,7,11H,2,5-6,8-9,14H2,1H3
InChIKeyUFYPAEMQAIZDFV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.79
Rot. Bonds4

About 4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline

4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline (PubChem CID 62182229) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline.

Molecular Properties

Compound Name4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline
PubChem CID62182229
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline
SMILESCCC1CN(Cc2ccc(N)c([N+](=O)[O-])c2)CCO1
InChIInChI=1S/C13H19N3O3/c1-2-11-9-15(5-6-19-11)8-10-3-4-12(14)13(7-10)16(17)18/h3-4,7,11H,2,5-6,8-9,14H2,1H3
InChIKeyUFYPAEMQAIZDFV-UHFFFAOYSA-N
XLogP1.79
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236
1-[(4-amino-3-nitrophenyl)methyl]-3-methylpiperidin-4-ol
CID 114681747
4-[(4-chloro-3-nitrophenyl)methyl]-2-methylmorpholine
CID 43350266
4-(azepan-1-ylmethyl)-2-nitroaniline
CID 62184254
methyl 2-[4-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-nitrophenoxy]acetate
CID 120844406
[4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 81203095
[4-[[3-(methylamino)-4-nitrophenyl]methyl]morpholin-2-yl]methanol
CID 81213023
[4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 79833713
2-amino-4-[(2-ethyl-1,4-oxazepan-4-yl)methyl]phenol
CID 114218284
[4-[(2-ethylmorpholin-4-yl)methyl]-2-pyridinyl]methanamine
CID 63886681
4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
CID 79582785
2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 82976620

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline?
The IUPAC name of 4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline (CID 62182229) is 4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline.
What is the SMILES notation for 4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline?
The canonical SMILES for 4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline is CCC1CN(Cc2ccc(N)c([N+](=O)[O-])c2)CCO1.
What is the InChIKey of 4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline?
The InChIKey is UFYPAEMQAIZDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-11-9-15(5-6-19-11)8-10-3-4-12(14)13(7-10)16(17)18/h3-4,7,11H,2,5-6,8-9,14H2,1H3.
What are the key properties of 4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline?
4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline has a molecular weight of 265.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylmorpholin-4-yl)methyl]-2-nitroaniline is sourced from PubChem (CID 62182229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).