2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene

C24H39FN6O8 — CID 158684702

IUPAC2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene
SMILESNCCOCCOCCN.NCCOCCOCCNc1ccc([N+](=O)[O-])cc1.O=[N+]([O-])c1ccc(F)cc1
InChIInChI=1S/C12H19N3O4.C6H4FNO2.C6H16N2O2/c13-5-7-18-9-10-19-8-6-14-11-1-3-12(4-2-11)15(16)17;7-5-1-3-6(4-2-5)8(9)10;7-1-3-9-5-6-10-4-2-8/h1-4,14H,5-10,13H2;1-4H;1-8H2
InChIKeyIFOWMLIDISOZEW-UHFFFAOYSA-N
MW558.61 g/mol
LogP1.67
Rot. Bonds18

About 2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene

2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene (PubChem CID 158684702) has the molecular formula C24H39FN6O8 and a molecular weight of 558.61 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene
PubChem CID158684702
Molecular FormulaC24H39FN6O8
Molecular Weight558.61 g/mol
Exact Mass558.28
IUPAC Name2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene
SMILESNCCOCCOCCN.NCCOCCOCCNc1ccc([N+](=O)[O-])cc1.O=[N+]([O-])c1ccc(F)cc1
InChIInChI=1S/C12H19N3O4.C6H4FNO2.C6H16N2O2/c13-5-7-18-9-10-19-8-6-14-11-1-3-12(4-2-11)15(16)17;7-5-1-3-6(4-2-5)8(9)10;7-1-3-9-5-6-10-4-2-8/h1-4,14H,5-10,13H2;1-4H;1-8H2
InChIKeyIFOWMLIDISOZEW-UHFFFAOYSA-N
XLogP1.67
TPSA213.29 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.61
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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'}

Analyze 2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene 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

1-fluoro-4-nitrobenzene;4-nitro-N-(2-propan-2-yloxyethyl)aniline;2-propan-2-yloxyethanamine;4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine;dihydrochloride
CID 159370928
O-[2-(4-nitroanilino)ethyl]hydroxylamine
CID 69258723
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(4-fluorophenyl)methyl]-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
CID 23901041
N'-(4-nitrophenyl)butane-1,4-diamine;hydrochloride
CID 11817436
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 170563879
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,6-dinitroaniline
CID 135258913
2-(4-nitroanilino)ethyl 2-methylprop-2-enoate
CID 57224509
4-[2-(4-nitroanilino)ethoxy]aniline
CID 63237676
N-[(4-fluorophenyl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine;hydrochloride
CID 17291539
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
(2S)-2-(4-fluorophenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9309027
N-(2-cyclopentyloxyethyl)-4-nitroaniline
CID 60964997

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene (CID 158684702) is 2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene is NCCOCCOCCN.NCCOCCOCCNc1ccc([N+](=O)[O-])cc1.O=[N+]([O-])c1ccc(F)cc1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene?
The InChIKey is IFOWMLIDISOZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4.C6H4FNO2.C6H16N2O2/c13-5-7-18-9-10-19-8-6-14-11-1-3-12(4-2-11)15(16)17;7-5-1-3-6(4-2-5)8(9)10;7-1-3-9-5-6-10-4-2-8/h1-4,14H,5-10,13H2;1-4H;1-8H2.
What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene?
2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene has a molecular weight of 558.61 g/mol, XLogP of 1.67, 18 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene is sourced from PubChem (CID 158684702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).