[5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone

C19H23FN2O3 — CID 25451208

IUPAC[5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)o1
InChIInChI=1S/C19H23FN2O3/c1-21(2)12-16-6-7-18(25-16)19(23)22-8-9-24-17(13-22)11-14-4-3-5-15(20)10-14/h3-7,10,17H,8-9,11-13H2,1-2H3/t17-/m0/s1
InChIKeyXMTAHQPWIVSGCS-KRWDZBQOSA-N
MW346.40 g/mol
LogP2.56
Rot. Bonds5

About [5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone

[5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone (PubChem CID 25451208) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
PubChem CID25451208
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name[5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
SMILESCN(C)Cc1ccc(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)o1
InChIInChI=1S/C19H23FN2O3/c1-21(2)12-16-6-7-18(25-16)19(23)22-8-9-24-17(13-22)11-14-4-3-5-15(20)10-14/h3-7,10,17H,8-9,11-13H2,1-2H3/t17-/m0/s1
InChIKeyXMTAHQPWIVSGCS-KRWDZBQOSA-N
XLogP2.56
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide
CID 45206506
1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
CID 124952778
(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45238113
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
4-bromo-2-[(3-fluorophenyl)methyl]morpholine
CID 172689726
[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 56877268
(3,5-dimethylfuran-2-yl)-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45169829
(3,5-dimethylfuran-2-yl)-[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 42115591
[5-[(dimethylamino)methyl]furan-2-yl]-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methanone
CID 56865299
2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81209303
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413

Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone?
The IUPAC name of [5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone (CID 25451208) is [5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone?
The canonical SMILES for [5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone is CN(C)Cc1ccc(C(=O)N2CCO[C@@H](Cc3cccc(F)c3)C2)o1.
What is the InChIKey of [5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone?
The InChIKey is XMTAHQPWIVSGCS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-21(2)12-16-6-7-18(25-16)19(23)22-8-9-24-17(13-22)11-14-4-3-5-15(20)10-14/h3-7,10,17H,8-9,11-13H2,1-2H3/t17-/m0/s1.
What are the key properties of [5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone?
[5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone has a molecular weight of 346.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 25451208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).