3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine

C13H18FNO — CID 155460762

IUPAC3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine
SMILESCCc1ccc(F)cc1C1COCCN1C
InChIInChI=1S/C13H18FNO/c1-3-10-4-5-11(14)8-12(10)13-9-16-7-6-15(13)2/h4-5,8,13H,3,6-7,9H2,1-2H3
InChIKeyADCRIOFPDFCQQB-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.39
Rot. Bonds2

About 3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine

3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine (PubChem CID 155460762) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine.

Molecular Properties

Compound Name3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine
PubChem CID155460762
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine
SMILESCCc1ccc(F)cc1C1COCCN1C
InChIInChI=1S/C13H18FNO/c1-3-10-4-5-11(14)8-12(10)13-9-16-7-6-15(13)2/h4-5,8,13H,3,6-7,9H2,1-2H3
InChIKeyADCRIOFPDFCQQB-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750
3-Phenylmorpholine--hydrogen chloride (1/1)
CID 17749820
4-[(2-Methylphenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737772
4-(2-Fluorobenzyl)morpholine
CID 783642
4-(3-Fluorobenzyl)morpholine
CID 783756
4-(1-Phenylbutyl)morpholine--hydrogen chloride (1/1)
CID 3057372
1-Piperidineethanol, beta-phenyl-
CID 199647
Piperidine, 1-(2-(phenethyloxy)phenyl)-
CID 213757
4-(1-Phenylethyl)morpholine--hydrogen chloride (1/1)
CID 3057369
3-(4-Fluorophenyl)morpholine
CID 3831072
3-Phenylmorpholine
CID 3613837
2,2-Dimethyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728326

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine?
The IUPAC name of 3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine (CID 155460762) is 3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine.
What is the SMILES notation for 3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine?
The canonical SMILES for 3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine is CCc1ccc(F)cc1C1COCCN1C.
What is the InChIKey of 3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine?
The InChIKey is ADCRIOFPDFCQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-10-4-5-11(14)8-12(10)13-9-16-7-6-15(13)2/h4-5,8,13H,3,6-7,9H2,1-2H3.
What are the key properties of 3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine?
3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine has a molecular weight of 223.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-fluorophenyl)-4-methylmorpholine is sourced from PubChem (CID 155460762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).