(2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride

C18H20Cl2FNO2 — CID 68597724

IUPAC(2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
SMILESCc1cccc([C@H](Oc2cc(F)ccc2Cl)[C@@H]2CNCCO2)c1.Cl
InChIInChI=1S/C18H19ClFNO2.ClH/c1-12-3-2-4-13(9-12)18(17-11-21-7-8-22-17)23-16-10-14(20)5-6-15(16)19;/h2-6,9-10,17-18,21H,7-8,11H2,1H3;1H/t17-,18-;/m0./s1
InChIKeyBJKJCOIUZMCBME-APTPAJQOSA-N
MW372.27 g/mol
LogP4.32
Rot. Bonds4

About (2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride

(2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride (PubChem CID 68597724) has the molecular formula C18H20Cl2FNO2 and a molecular weight of 372.27 g/mol. Its IUPAC name is (2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
PubChem CID68597724
Molecular FormulaC18H20Cl2FNO2
Molecular Weight372.27 g/mol
Exact Mass371.09
IUPAC Name(2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
SMILESCc1cccc([C@H](Oc2cc(F)ccc2Cl)[C@@H]2CNCCO2)c1.Cl
InChIInChI=1S/C18H19ClFNO2.ClH/c1-12-3-2-4-13(9-12)18(17-11-21-7-8-22-17)23-16-10-14(20)5-6-15(16)19;/h2-6,9-10,17-18,21H,7-8,11H2,1H3;1H/t17-,18-;/m0./s1
InChIKeyBJKJCOIUZMCBME-APTPAJQOSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine
CID 68596273
(2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
CID 68598787
(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methoxyphenyl)methyl]morpholine;hydrochloride
CID 68598644
2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine
CID 91423656
(2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride
CID 68598484
2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 90905333
(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68599403
(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
(2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine
CID 68598775
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042
(2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68597015
2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride
CID 68597668

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride?
The IUPAC name of (2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride (CID 68597724) is (2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride.
What is the SMILES notation for (2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride?
The canonical SMILES for (2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride is Cc1cccc([C@H](Oc2cc(F)ccc2Cl)[C@@H]2CNCCO2)c1.Cl.
What is the InChIKey of (2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride?
The InChIKey is BJKJCOIUZMCBME-APTPAJQOSA-N. The full InChI is InChI=1S/C18H19ClFNO2.ClH/c1-12-3-2-4-13(9-12)18(17-11-21-7-8-22-17)23-16-10-14(20)5-6-15(16)19;/h2-6,9-10,17-18,21H,7-8,11H2,1H3;1H/t17-,18-;/m0./s1.
What are the key properties of (2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride?
(2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride has a molecular weight of 372.27 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride is sourced from PubChem (CID 68597724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).