4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine

C15H24FN3O2 — CID 63593047

IUPAC4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
SMILESCCOc1cc(NC(C)CN2CCOCC2)c(N)cc1F
InChIInChI=1S/C15H24FN3O2/c1-3-21-15-9-14(13(17)8-12(15)16)18-11(2)10-19-4-6-20-7-5-19/h8-9,11,18H,3-7,10,17H2,1-2H3
InChIKeyLKFZNJYWPDRHIX-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.94
Rot. Bonds6

About 4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine

4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine (PubChem CID 63593047) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
PubChem CID63593047
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Name4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
SMILESCCOc1cc(NC(C)CN2CCOCC2)c(N)cc1F
InChIInChI=1S/C15H24FN3O2/c1-3-21-15-9-14(13(17)8-12(15)16)18-11(2)10-19-4-6-20-7-5-19/h8-9,11,18H,3-7,10,17H2,1-2H3
InChIKeyLKFZNJYWPDRHIX-UHFFFAOYSA-N
XLogP1.94
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 63593924
4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
CID 54965108
4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine
CID 63592175
4-amino-3-(1-morpholin-4-ylpropan-2-ylamino)benzenesulfonamide
CID 82900216
4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 63599229
ethyl 2-amino-4-fluoro-5-(3-morpholin-4-ylpropoxy)benzoate
CID 59198226
4-fluoro-5-methoxy-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine
CID 55218001
1-N-[1-(diethylamino)propan-2-yl]-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63592624
4-ethoxy-5-fluoro-2-N-(2,3,5-trifluorophenyl)benzene-1,2-diamine
CID 63591998
3-fluoro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 62733426
4-ethoxy-5-fluoro-2-N-(3-methylsulfanylbutyl)benzene-1,2-diamine
CID 113493863
4-ethoxy-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluorobenzene-1,2-diamine
CID 63594101

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine (CID 63593047) is 4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine is CCOc1cc(NC(C)CN2CCOCC2)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine?
The InChIKey is LKFZNJYWPDRHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-3-21-15-9-14(13(17)8-12(15)16)18-11(2)10-19-4-6-20-7-5-19/h8-9,11,18H,3-7,10,17H2,1-2H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine has a molecular weight of 297.37 g/mol, XLogP of 1.94, 6 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-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 63593047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).