(E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one

C17H23FN2O2 — CID 167839223

IUPAC(E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one
SMILESCC(N)/C=C/C(=O)N1CC(c2cccc(F)c2)OCC1(C)C
InChIInChI=1S/C17H23FN2O2/c1-12(19)7-8-16(21)20-10-15(22-11-17(20,2)3)13-5-4-6-14(18)9-13/h4-9,12,15H,10-11,19H2,1-3H3/b8-7+
InChIKeyLSXJLASWKVCAEC-BQYQJAHWSA-N
MW306.38 g/mol
LogP2.41
Rot. Bonds3

About (E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one

(E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one (PubChem CID 167839223) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is (E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one.

Molecular Properties

Compound Name(E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one
PubChem CID167839223
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name(E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one
SMILESCC(N)/C=C/C(=O)N1CC(c2cccc(F)c2)OCC1(C)C
InChIInChI=1S/C17H23FN2O2/c1-12(19)7-8-16(21)20-10-15(22-11-17(20,2)3)13-5-4-6-14(18)9-13/h4-9,12,15H,10-11,19H2,1-3H3/b8-7+
InChIKeyLSXJLASWKVCAEC-BQYQJAHWSA-N
XLogP2.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327516
[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 110327513
3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one
CID 119769752
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one
CID 110327504
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302
1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
CID 136526058
(2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine
CID 164641625
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668206
2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide
CID 110356676
4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one
CID 120591420
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
CID 119770437
[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone
CID 110358376

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one?
The IUPAC name of (E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one (CID 167839223) is (E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one.
What is the SMILES notation for (E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one?
The canonical SMILES for (E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one is CC(N)/C=C/C(=O)N1CC(c2cccc(F)c2)OCC1(C)C.
What is the InChIKey of (E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one?
The InChIKey is LSXJLASWKVCAEC-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12(19)7-8-16(21)20-10-15(22-11-17(20,2)3)13-5-4-6-14(18)9-13/h4-9,12,15H,10-11,19H2,1-3H3/b8-7+.
What are the key properties of (E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one?
(E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one has a molecular weight of 306.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one is sourced from PubChem (CID 167839223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).