5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine

C16H18FN3O — CID 63179447

IUPAC5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine
SMILESNc1cc(F)cc(Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C16H18FN3O/c17-12-9-13(18)11-15(10-12)19-14-1-3-16(4-2-14)20-5-7-21-8-6-20/h1-4,9-11,19H,5-8,18H2
InChIKeyLIJQHMIYCIWSGW-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.99
Rot. Bonds3

About 5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine

5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine (PubChem CID 63179447) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine
PubChem CID63179447
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine
SMILESNc1cc(F)cc(Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C16H18FN3O/c17-12-9-13(18)11-15(10-12)19-14-1-3-16(4-2-14)20-5-7-21-8-6-20/h1-4,9-11,19H,5-8,18H2
InChIKeyLIJQHMIYCIWSGW-UHFFFAOYSA-N
XLogP2.99
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yl-N-phenylaniline
CID 159018746
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 80811982
(4-morpholin-4-ylphenyl)hydrazine;hydrochloride
CID 69411327
N-fluoro-4-morpholin-4-ylaniline
CID 141098997
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
3-fluoro-5-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 60875546
5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine
CID 152621698
6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 121468961
5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117077966
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide
CID 120799542

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine (CID 63179447) is 5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine is Nc1cc(F)cc(Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine?
The InChIKey is LIJQHMIYCIWSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-12-9-13(18)11-15(10-12)19-14-1-3-16(4-2-14)20-5-7-21-8-6-20/h1-4,9-11,19H,5-8,18H2.
What are the key properties of 5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine?
5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine has a molecular weight of 287.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-N-(4-morpholin-4-ylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 63179447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).