(2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine

C18H20FNO2S — CID 68542716

IUPAC(2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine
SMILESCSc1cc(F)ccc1OC(c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H20FNO2S/c1-23-17-11-14(19)7-8-15(17)22-18(13-5-3-2-4-6-13)16-12-20-9-10-21-16/h2-8,11,16,18,20H,9-10,12H2,1H3/t16-,18?/m0/s1
InChIKeyMKFQLZWUHIRNAW-ATNAJCNCSA-N
MW333.43 g/mol
LogP3.66
Rot. Bonds5

About (2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine

(2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine (PubChem CID 68542716) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine
PubChem CID68542716
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name(2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine
SMILESCSc1cc(F)ccc1OC(c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H20FNO2S/c1-23-17-11-14(19)7-8-15(17)22-18(13-5-3-2-4-6-13)16-12-20-9-10-21-16/h2-8,11,16,18,20H,9-10,12H2,1H3/t16-,18?/m0/s1
InChIKeyMKFQLZWUHIRNAW-ATNAJCNCSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine
CID 59166814
2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
CID 68597322
(2R)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
CID 45101528
2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 90905333
(2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine
CID 68546079
(2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine
CID 68598775
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042
2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine
CID 68542186
(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine
CID 68596273
2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine
CID 91482587
2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine
CID 68599939

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine?
The IUPAC name of (2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine (CID 68542716) is (2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for (2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine?
The canonical SMILES for (2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine is CSc1cc(F)ccc1OC(c1ccccc1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine?
The InChIKey is MKFQLZWUHIRNAW-ATNAJCNCSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-23-17-11-14(19)7-8-15(17)22-18(13-5-3-2-4-6-13)16-12-20-9-10-21-16/h2-8,11,16,18,20H,9-10,12H2,1H3/t16-,18?/m0/s1.
What are the key properties of (2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine?
(2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine has a molecular weight of 333.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 68542716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).