(E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine

C18H21FN4O2 — CID 146512003

IUPAC(E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESNC/C(=C\F)COc1ccc(-c2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H21FN4O2/c19-11-14(12-20)13-25-16-3-1-15(2-4-16)18-21-6-5-17(22-18)23-7-9-24-10-8-23/h1-6,11H,7-10,12-13,20H2/b14-11+
InChIKeyKGDFJGBTDIKNTE-SDNWHVSQSA-N
MW344.39 g/mol
LogP2.17
Rot. Bonds6

About (E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine

(E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 146512003) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID146512003
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESNC/C(=C\F)COc1ccc(-c2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H21FN4O2/c19-11-14(12-20)13-25-16-3-1-15(2-4-16)18-21-6-5-17(22-18)23-7-9-24-10-8-23/h1-6,11H,7-10,12-13,20H2/b14-11+
InChIKeyKGDFJGBTDIKNTE-SDNWHVSQSA-N
XLogP2.17
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine (CID 146512003) is (E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine is NC/C(=C\F)COc1ccc(-c2nccc(N3CCOCC3)n2)cc1.
What is the InChIKey of (E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is KGDFJGBTDIKNTE-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-11-14(12-20)13-25-16-3-1-15(2-4-16)18-21-6-5-17(22-18)23-7-9-24-10-8-23/h1-6,11H,7-10,12-13,20H2/b14-11+.
What are the key properties of (E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 344.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-[[4-(4-morpholin-4-ylpyrimidin-2-yl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 146512003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).