5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline

C18H21N3O5 — CID 21451606

IUPAC5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline
SMILESNc1cc(Oc2ccc(OCCC3CNCCO3)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O5/c19-17-11-15(5-6-18(17)21(22)23)26-14-3-1-13(2-4-14)24-9-7-16-12-20-8-10-25-16/h1-6,11,16,20H,7-10,12,19H2
InChIKeyYKFGYQKQFUXNKR-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.73
Rot. Bonds7

About 5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline

5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline (PubChem CID 21451606) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline.

Molecular Properties

Compound Name5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline
PubChem CID21451606
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline
SMILESNc1cc(Oc2ccc(OCCC3CNCCO3)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O5/c19-17-11-15(5-6-18(17)21(22)23)26-14-3-1-13(2-4-14)24-9-7-16-12-20-8-10-25-16/h1-6,11,16,20H,7-10,12,19H2
InChIKeyYKFGYQKQFUXNKR-UHFFFAOYSA-N
XLogP2.73
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze 5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-5-[4-(2-piperidin-2-ylethoxy)phenoxy]aniline
CID 54174237
2-[3-(4-nitrophenoxy)propyl]morpholine
CID 22012898
2-[2-(4-methylphenoxy)ethyl]morpholine
CID 54402236
2-nitro-5-(4-propan-2-ylphenoxy)aniline
CID 106751963
2-nitro-5-(3-phenylpropoxy)aniline
CID 106752038
2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine
CID 114468447
4-(morpholin-2-ylmethoxy)-7-nitro-2,1,3-benzoxadiazole
CID 114469249
2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]morpholine
CID 114468877
3-(morpholin-2-ylmethylamino)-4-nitrobenzamide
CID 82995436
2-nitro-5-(2-phenylmethoxyethoxy)aniline
CID 21450211
3-[2-(3-chloro-4-nitrophenoxy)ethyl]piperidine
CID 62356879
5-(3-bromo-5-fluorophenoxy)-2-nitroaniline
CID 106752087

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline?
The IUPAC name of 5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline (CID 21451606) is 5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline.
What is the SMILES notation for 5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline?
The canonical SMILES for 5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline is Nc1cc(Oc2ccc(OCCC3CNCCO3)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of 5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline?
The InChIKey is YKFGYQKQFUXNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c19-17-11-15(5-6-18(17)21(22)23)26-14-3-1-13(2-4-14)24-9-7-16-12-20-8-10-25-16/h1-6,11,16,20H,7-10,12,19H2.
What are the key properties of 5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline?
5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline has a molecular weight of 359.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-morpholin-2-ylethoxy)phenoxy]-2-nitroaniline is sourced from PubChem (CID 21451606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).