[5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone

C17H19FN2O3 — CID 124694866

IUPAC[5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(CN)o2)C[C@@H](c2ccc(F)cc2)O1
InChIInChI=1S/C17H19FN2O3/c1-11-9-20(17(21)15-7-6-14(8-19)23-15)10-16(22-11)12-2-4-13(18)5-3-12/h2-7,11,16H,8-10,19H2,1H3/t11-,16+/m1/s1
InChIKeySFKFHTZSYZLJRF-BZNIZROVSA-N
MW318.35 g/mol
LogP2.48
Rot. Bonds3

About [5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone

[5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 124694866) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
PubChem CID124694866
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name[5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(CN)o2)C[C@@H](c2ccc(F)cc2)O1
InChIInChI=1S/C17H19FN2O3/c1-11-9-20(17(21)15-7-6-14(8-19)23-15)10-16(22-11)12-2-4-13(18)5-3-12/h2-7,11,16H,8-10,19H2,1H3/t11-,16+/m1/s1
InChIKeySFKFHTZSYZLJRF-BZNIZROVSA-N
XLogP2.48
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone with MolForge

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Related Compounds

2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]ethanone
CID 110369198
(4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369215
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914855
(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propan-1-one
CID 119332587
cyclopropyl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369168
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 120635302
[5-(aminomethyl)furan-2-yl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 124517050
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 120635304
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone;hydrochloride
CID 120635303
1,3-benzodioxol-5-yl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369219
(2-chloro-6-fluorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369220
(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride
CID 84588635

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone (CID 124694866) is [5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2ccc(CN)o2)C[C@@H](c2ccc(F)cc2)O1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is SFKFHTZSYZLJRF-BZNIZROVSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-11-9-20(17(21)15-7-6-14(8-19)23-15)10-16(22-11)12-2-4-13(18)5-3-12/h2-7,11,16H,8-10,19H2,1H3/t11-,16+/m1/s1.
What are the key properties of [5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
[5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 318.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 124694866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).