(2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine

C13H18FNO — CID 67538727

IUPAC(2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine
SMILESCC1CO[C@@H](CCc2ccc(F)cc2)CN1
InChIInChI=1S/C13H18FNO/c1-10-9-16-13(8-15-10)7-4-11-2-5-12(14)6-3-11/h2-3,5-6,10,13,15H,4,7-9H2,1H3/t10?,13-/m0/s1
InChIKeyDMSRPFOZBCVXEW-HQVZTVAUSA-N
MW223.29 g/mol
LogP2.14
Rot. Bonds3

About (2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine

(2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine (PubChem CID 67538727) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine.

Molecular Properties

Compound Name(2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine
PubChem CID67538727
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine
SMILESCC1CO[C@@H](CCc2ccc(F)cc2)CN1
InChIInChI=1S/C13H18FNO/c1-10-9-16-13(8-15-10)7-4-11-2-5-12(14)6-3-11/h2-3,5-6,10,13,15H,4,7-9H2,1H3/t10?,13-/m0/s1
InChIKeyDMSRPFOZBCVXEW-HQVZTVAUSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-fluorophenyl)ethyl]-5-methyloxolane
CID 100990347
(2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine
CID 158378174
(2S,5S)-2-(methoxymethyl)-5-methylmorpholine
CID 55300146
[(2R)-5-methylmorpholin-2-yl]methanol
CID 155273553
(5R)-2-(methoxymethyl)-5-methylmorpholine;hydrochloride
CID 155291476
N-[2-(4-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335502
2-[(4-fluorocyclohepta-1,3,6-trien-1-yl)methyl]-5-methylmorpholine
CID 91350994
N,N-dimethyl-1-[(2R,5R)-5-methylmorpholin-2-yl]methanamine
CID 45088569
1-fluoro-4-propylbenzene
CID 2737505
ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072
(2S)-2-[2-(4-fluorophenyl)ethyl]piperazine
CID 69487151
2-(3,5-difluorophenyl)-5-methylmorpholine
CID 78021784

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine?
The IUPAC name of (2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine (CID 67538727) is (2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine.
What is the SMILES notation for (2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine?
The canonical SMILES for (2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine is CC1CO[C@@H](CCc2ccc(F)cc2)CN1.
What is the InChIKey of (2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine?
The InChIKey is DMSRPFOZBCVXEW-HQVZTVAUSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-9-16-13(8-15-10)7-4-11-2-5-12(14)6-3-11/h2-3,5-6,10,13,15H,4,7-9H2,1H3/t10?,13-/m0/s1.
What are the key properties of (2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine?
(2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine has a molecular weight of 223.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-fluorophenyl)ethyl]-5-methylmorpholine is sourced from PubChem (CID 67538727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).