5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline

C18H22N4O4 — CID 58905635

IUPAC5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline
SMILESNc1ccc(Oc2ccc([N+](=O)[O-])c(NCCN3CCOCC3)c2)cc1
InChIInChI=1S/C18H22N4O4/c19-14-1-3-15(4-2-14)26-16-5-6-18(22(23)24)17(13-16)20-7-8-21-9-11-25-12-10-21/h1-6,13,20H,7-12,19H2
InChIKeyDKSSVYFFFDUWHR-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.71
Rot. Bonds7

About 5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline

5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline (PubChem CID 58905635) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline.

Molecular Properties

Compound Name5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline
PubChem CID58905635
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline
SMILESNc1ccc(Oc2ccc([N+](=O)[O-])c(NCCN3CCOCC3)c2)cc1
InChIInChI=1S/C18H22N4O4/c19-14-1-3-15(4-2-14)26-16-5-6-18(22(23)24)17(13-16)20-7-8-21-9-11-25-12-10-21/h1-6,13,20H,7-12,19H2
InChIKeyDKSSVYFFFDUWHR-UHFFFAOYSA-N
XLogP2.71
TPSA102.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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

N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline
CID 2915968
5-(2-morpholin-4-ylethylamino)-2-nitrobenzonitrile
CID 115348699
2-chloro-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine
CID 28904413
3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline
CID 63671087
3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine
CID 91325508
5-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-nitroaniline
CID 62376423
4-(3-morpholin-4-ylpropoxy)-2-nitroaniline
CID 142691529
N-(2-morpholin-4-ylethyl)-3-(4-nitrophenoxy)benzamide
CID 66745649
3-[4-(3-morpholin-4-ylpropylamino)-3-nitrophenyl]sulfonyl-2-phenoxybenzamide
CID 67423419
3,5-difluoro-N-(2-morpholin-4-ylethyl)-2-nitroaniline
CID 115507698
4-nitro-3-(2-piperidin-1-ylethylamino)benzoic acid
CID 82769553
1-N-methyl-3-N-(2-morpholin-4-ylethyl)-2-nitrobenzene-1,3-diamine
CID 80777054

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline?
The IUPAC name of 5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline (CID 58905635) is 5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline.
What is the SMILES notation for 5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline?
The canonical SMILES for 5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline is Nc1ccc(Oc2ccc([N+](=O)[O-])c(NCCN3CCOCC3)c2)cc1.
What is the InChIKey of 5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline?
The InChIKey is DKSSVYFFFDUWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c19-14-1-3-15(4-2-14)26-16-5-6-18(22(23)24)17(13-16)20-7-8-21-9-11-25-12-10-21/h1-6,13,20H,7-12,19H2.
What are the key properties of 5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline?
5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline has a molecular weight of 358.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline is sourced from PubChem (CID 58905635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).