4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine

C15H24FN3O2 — CID 63593924

IUPAC4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
SMILESCCOc1cc(NCCCN2CCOCC2)c(N)cc1F
InChIInChI=1S/C15H24FN3O2/c1-2-21-15-11-14(13(17)10-12(15)16)18-4-3-5-19-6-8-20-9-7-19/h10-11,18H,2-9,17H2,1H3
InChIKeyHYRQBNGMLUJFPT-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.94
Rot. Bonds7

About 4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine

4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine (PubChem CID 63593924) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
PubChem CID63593924
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Name4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
SMILESCCOc1cc(NCCCN2CCOCC2)c(N)cc1F
InChIInChI=1S/C15H24FN3O2/c1-2-21-15-11-14(13(17)10-12(15)16)18-4-3-5-19-6-8-20-9-7-19/h10-11,18H,2-9,17H2,1H3
InChIKeyHYRQBNGMLUJFPT-UHFFFAOYSA-N
XLogP1.94
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 63599229
4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
CID 63593047
4-ethoxy-5-fluoro-2-N-octylbenzene-1,2-diamine
CID 115566269
ethyl 2-amino-4-fluoro-5-(3-morpholin-4-ylpropoxy)benzoate
CID 59198226
2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline
CID 82538948
2-N-(2-cyclopentylethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 63592338
3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide
CID 63594462
4-bromo-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 43348214
2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine
CID 90022894
4-ethoxy-5-fluoro-2-N-[2-(2-methoxyethoxy)ethyl]benzene-1,2-diamine
CID 63594479
4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 63593384
4-ethoxy-5-fluoro-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,2-diamine
CID 63592710

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine (CID 63593924) is 4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine is CCOc1cc(NCCCN2CCOCC2)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine?
The InChIKey is HYRQBNGMLUJFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-2-21-15-11-14(13(17)10-12(15)16)18-4-3-5-19-6-8-20-9-7-19/h10-11,18H,2-9,17H2,1H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine has a molecular weight of 297.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 63593924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).