2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline

C13H18FN3O3 — CID 2927743

IUPAC2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NCCCN2CCOCC2)c(F)c1
InChIInChI=1S/C13H18FN3O3/c14-12-10-11(17(18)19)2-3-13(12)15-4-1-5-16-6-8-20-9-7-16/h2-3,10,15H,1,4-9H2
InChIKeyATYYTVBJPXUSHU-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.87
Rot. Bonds6

About 2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline

2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline (PubChem CID 2927743) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline.

Molecular Properties

Compound Name2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline
PubChem CID2927743
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NCCCN2CCOCC2)c(F)c1
InChIInChI=1S/C13H18FN3O3/c14-12-10-11(17(18)19)2-3-13(12)15-4-1-5-16-6-8-20-9-7-16/h2-3,10,15H,1,4-9H2
InChIKeyATYYTVBJPXUSHU-UHFFFAOYSA-N
XLogP1.87
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

5-nitro-2-[3-(1,4-oxazepan-4-yl)propylamino]benzonitrile
CID 139017550
5-bromo-4-fluoro-N-(3-morpholin-4-ylpropyl)-2-nitroaniline
CID 116736925
2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline
CID 82538948
4-fluoro-3-nitrobenzenesulfonamide;4-(3-morpholin-4-ylpropylamino)-3-nitrobenzenesulfonamide
CID 87316206
2-fluoro-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-4-nitroaniline
CID 48557266
2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine
CID 90022894
N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine
CID 3078806
N-(3-morpholin-4-ylpropyl)-2-nitrothiophen-3-amine;hydrochloride
CID 3078805
3-bromo-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79534604
N-ethyl-N'-(2-fluoro-4-nitrophenyl)propane-1,3-diamine
CID 54906818
3,5-difluoro-N-(2-morpholin-4-ylethyl)-2-nitroaniline
CID 115507698
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline?
The IUPAC name of 2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline (CID 2927743) is 2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline.
What is the SMILES notation for 2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline?
The canonical SMILES for 2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline is O=[N+]([O-])c1ccc(NCCCN2CCOCC2)c(F)c1.
What is the InChIKey of 2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline?
The InChIKey is ATYYTVBJPXUSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c14-12-10-11(17(18)19)2-3-13(12)15-4-1-5-16-6-8-20-9-7-16/h2-3,10,15H,1,4-9H2.
What are the key properties of 2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline?
2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline has a molecular weight of 283.30 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline is sourced from PubChem (CID 2927743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).