3-(5-fluoro-2-propylphenyl)-4-methylmorpholine

C14H20FNO — CID 129075303

IUPAC3-(5-fluoro-2-propylphenyl)-4-methylmorpholine
SMILESCCCc1ccc(F)cc1C1COCCN1C
InChIInChI=1S/C14H20FNO/c1-3-4-11-5-6-12(15)9-13(11)14-10-17-8-7-16(14)2/h5-6,9,14H,3-4,7-8,10H2,1-2H3
InChIKeyKIBPOLWMOLJMBT-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.78
Rot. Bonds3

About 3-(5-fluoro-2-propylphenyl)-4-methylmorpholine

3-(5-fluoro-2-propylphenyl)-4-methylmorpholine (PubChem CID 129075303) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(5-fluoro-2-propylphenyl)-4-methylmorpholine.

Molecular Properties

Compound Name3-(5-fluoro-2-propylphenyl)-4-methylmorpholine
PubChem CID129075303
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(5-fluoro-2-propylphenyl)-4-methylmorpholine
SMILESCCCc1ccc(F)cc1C1COCCN1C
InChIInChI=1S/C14H20FNO/c1-3-4-11-5-6-12(15)9-13(11)14-10-17-8-7-16(14)2/h5-6,9,14H,3-4,7-8,10H2,1-2H3
InChIKeyKIBPOLWMOLJMBT-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.78
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-(5-fluoro-2-propylphenyl)-4-methylmorpholine?
The IUPAC name of 3-(5-fluoro-2-propylphenyl)-4-methylmorpholine (CID 129075303) is 3-(5-fluoro-2-propylphenyl)-4-methylmorpholine.
What is the SMILES notation for 3-(5-fluoro-2-propylphenyl)-4-methylmorpholine?
The canonical SMILES for 3-(5-fluoro-2-propylphenyl)-4-methylmorpholine is CCCc1ccc(F)cc1C1COCCN1C.
What is the InChIKey of 3-(5-fluoro-2-propylphenyl)-4-methylmorpholine?
The InChIKey is KIBPOLWMOLJMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-4-11-5-6-12(15)9-13(11)14-10-17-8-7-16(14)2/h5-6,9,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3-(5-fluoro-2-propylphenyl)-4-methylmorpholine?
3-(5-fluoro-2-propylphenyl)-4-methylmorpholine has a molecular weight of 237.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-propylphenyl)-4-methylmorpholine is sourced from PubChem (CID 129075303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).