[4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C15H21FN2O3 — CID 75436702

IUPAC[4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1ccc(N(C)C)cc1F
InChIInChI=1S/C15H21FN2O3/c1-10-9-21-12(8-19)7-18(10)15(20)13-5-4-11(17(2)3)6-14(13)16/h4-6,10,12,19H,7-9H2,1-3H3
InChIKeyRKZJZVZDHFKVSS-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.11
Rot. Bonds3

About [4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

[4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 75436702) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is [4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID75436702
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name[4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1ccc(N(C)C)cc1F
InChIInChI=1S/C15H21FN2O3/c1-10-9-21-12(8-19)7-18(10)15(20)13-5-4-11(17(2)3)6-14(13)16/h4-6,10,12,19H,7-9H2,1-3H3
InChIKeyRKZJZVZDHFKVSS-UHFFFAOYSA-N
XLogP1.11
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-4,5-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81205548
[4-fluoro-2-(trifluoromethyl)phenyl]-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 97157511
(2-amino-3-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81212668
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 81202743
(4-bromo-2-methylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208453
(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107723418
(3-chloro-2-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81266511
(3-bromo-4-fluorophenyl)-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 97250594
(2-hydrazinylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81214213
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 81211640
(2-chloro-4,5-dimethylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 110027448
(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
CID 79771017

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of [4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 75436702) is [4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for [4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1COC(CO)CN1C(=O)c1ccc(N(C)C)cc1F.
What is the InChIKey of [4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is RKZJZVZDHFKVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10-9-21-12(8-19)7-18(10)15(20)13-5-4-11(17(2)3)6-14(13)16/h4-6,10,12,19H,7-9H2,1-3H3.
What are the key properties of [4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
[4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 296.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-fluorophenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 75436702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).