2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine

C18H19ClFNO3 — CID 91423656

IUPAC2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine
SMILESCOc1cc(F)ccc1O[C@@H](c1cccc(Cl)c1)C1CNCCO1
InChIInChI=1S/C18H19ClFNO3/c1-22-16-10-14(20)5-6-15(16)24-18(17-11-21-7-8-23-17)12-3-2-4-13(19)9-12/h2-6,9-10,17-18,21H,7-8,11H2,1H3/t17?,18-/m0/s1
InChIKeySEHFGYPJHXCXJN-ZVAWYAOSSA-N
MW351.81 g/mol
LogP3.60
Rot. Bonds5

About 2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine

2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine (PubChem CID 91423656) has the molecular formula C18H19ClFNO3 and a molecular weight of 351.81 g/mol. Its IUPAC name is 2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine.

Molecular Properties

Compound Name2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine
PubChem CID91423656
Molecular FormulaC18H19ClFNO3
Molecular Weight351.81 g/mol
Exact Mass351.10
IUPAC Name2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine
SMILESCOc1cc(F)ccc1O[C@@H](c1cccc(Cl)c1)C1CNCCO1
InChIInChI=1S/C18H19ClFNO3/c1-22-16-10-14(20)5-6-15(16)24-18(17-11-21-7-8-23-17)12-3-2-4-13(19)9-12/h2-6,9-10,17-18,21H,7-8,11H2,1H3/t17?,18-/m0/s1
InChIKeySEHFGYPJHXCXJN-ZVAWYAOSSA-N
XLogP3.60
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 90905333
(2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
CID 68598787
(2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine
CID 68598616
(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68599403
(2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride
CID 68598484
(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methoxyphenyl)methyl]morpholine;hydrochloride
CID 68598644
(2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
CID 68597724
(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine
CID 68596273
2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
CID 68597322
(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042
2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine
CID 91482587

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine?
The IUPAC name of 2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine (CID 91423656) is 2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine.
What is the SMILES notation for 2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine?
The canonical SMILES for 2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine is COc1cc(F)ccc1O[C@@H](c1cccc(Cl)c1)C1CNCCO1.
What is the InChIKey of 2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine?
The InChIKey is SEHFGYPJHXCXJN-ZVAWYAOSSA-N. The full InChI is InChI=1S/C18H19ClFNO3/c1-22-16-10-14(20)5-6-15(16)24-18(17-11-21-7-8-23-17)12-3-2-4-13(19)9-12/h2-6,9-10,17-18,21H,7-8,11H2,1H3/t17?,18-/m0/s1.
What are the key properties of 2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine?
2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine has a molecular weight of 351.81 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine is sourced from PubChem (CID 91423656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).