3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine

C10H14N4O3 — CID 91325508

IUPAC3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine
SMILESNc1ccc([N+](=O)[O-])c(NN2CCOCC2)c1
InChIInChI=1S/C10H14N4O3/c11-8-1-2-10(14(15)16)9(7-8)12-13-3-5-17-6-4-13/h1-2,7,12H,3-6,11H2
InChIKeyPAZGNHSJDSWQMN-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.84
Rot. Bonds3

About 3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine

3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine (PubChem CID 91325508) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine
PubChem CID91325508
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine
SMILESNc1ccc([N+](=O)[O-])c(NN2CCOCC2)c1
InChIInChI=1S/C10H14N4O3/c11-8-1-2-10(14(15)16)9(7-8)12-13-3-5-17-6-4-13/h1-2,7,12H,3-6,11H2
InChIKeyPAZGNHSJDSWQMN-UHFFFAOYSA-N
XLogP0.84
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-amino-2-(morpholin-4-ylamino)benzoic acid
CID 83023674
2-methyl-1-N-morpholin-4-ylbenzene-1,4-diamine
CID 83005598
3-N-methyl-4-nitrobenzene-1,3-diamine
CID 54558907
N-(3-methoxy-4-nitrophenyl)morpholin-4-amine
CID 83026270
2-N-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
CID 56762510
5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline
CID 58905635
N-(5-methoxy-2-nitrophenyl)piperidin-1-amine
CID 83026142
5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide
CID 83018411
4-(2-methyl-1-morpholin-4-ylpropan-2-yl)-3-nitroaniline
CID 139416702
3-fluoro-4-morpholin-4-ylaniline;4-(2-fluoro-4-nitrophenyl)morpholine
CID 69365394
N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide
CID 83026041
N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline
CID 2959576

Frequently Asked Questions

What is the IUPAC name of 3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine?
The IUPAC name of 3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine (CID 91325508) is 3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine.
What is the SMILES notation for 3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine?
The canonical SMILES for 3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine is Nc1ccc([N+](=O)[O-])c(NN2CCOCC2)c1.
What is the InChIKey of 3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine?
The InChIKey is PAZGNHSJDSWQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-8-1-2-10(14(15)16)9(7-8)12-13-3-5-17-6-4-13/h1-2,7,12H,3-6,11H2.
What are the key properties of 3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine?
3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine has a molecular weight of 238.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine is sourced from PubChem (CID 91325508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).