(4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone

C14H18FNO2 — CID 79666580

IUPAC(4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone
SMILESCCN1CCOC(C(=O)c2ccc(F)c(C)c2)C1
InChIInChI=1S/C14H18FNO2/c1-3-16-6-7-18-13(9-16)14(17)11-4-5-12(15)10(2)8-11/h4-5,8,13H,3,6-7,9H2,1-2H3
InChIKeyHKDLBGYFHYAAJS-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.04
Rot. Bonds3

About (4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone

(4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 79666580) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID79666580
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone
SMILESCCN1CCOC(C(=O)c2ccc(F)c(C)c2)C1
InChIInChI=1S/C14H18FNO2/c1-3-16-6-7-18-13(9-16)14(17)11-4-5-12(15)10(2)8-11/h4-5,8,13H,3,6-7,9H2,1-2H3
InChIKeyHKDLBGYFHYAAJS-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 79705374
(3,5-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
CID 79667186
(2,3-dimethylphenyl)-(4-ethylmorpholin-2-yl)methanone
CID 79666423
(3-fluoro-4-methylphenyl)-(4-methylmorpholin-2-yl)methanone
CID 107128362
4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
CID 65067073
(2,6-difluoro-3-methylphenyl)-(4-propylmorpholin-2-yl)methanone
CID 82822768
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347306
1-(4-ethylmorpholin-2-yl)-2-(4-methylphenyl)ethanone
CID 79666250
(5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone
CID 79742554
(2,4-difluorophenyl)-(4-propylmorpholin-2-yl)methanone
CID 79669007
[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 81210108
(4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone
CID 79663285

Frequently Asked Questions

What is the IUPAC name of (4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone (CID 79666580) is (4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone is CCN1CCOC(C(=O)c2ccc(F)c(C)c2)C1.
What is the InChIKey of (4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is HKDLBGYFHYAAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-3-16-6-7-18-13(9-16)14(17)11-4-5-12(15)10(2)8-11/h4-5,8,13H,3,6-7,9H2,1-2H3.
What are the key properties of (4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone?
(4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 251.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylmorpholin-2-yl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 79666580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).