(2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride

C19H23ClFNO3 — CID 68598484

IUPAC(2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride
SMILESCOc1cc(C)ccc1OC(c1cccc(F)c1)[C@@H]1CNCCO1.Cl
InChIInChI=1S/C19H22FNO3.ClH/c1-13-6-7-16(17(10-13)22-2)24-19(18-12-21-8-9-23-18)14-4-3-5-15(20)11-14;/h3-7,10-11,18-19,21H,8-9,12H2,1-2H3;1H/t18-,19?;/m0./s1
InChIKeyBAPLSIZHFRQMBR-HMEPSURWSA-N
MW367.85 g/mol
LogP3.67
Rot. Bonds5

About (2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride

(2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride (PubChem CID 68598484) has the molecular formula C19H23ClFNO3 and a molecular weight of 367.85 g/mol. Its IUPAC name is (2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride
PubChem CID68598484
Molecular FormulaC19H23ClFNO3
Molecular Weight367.85 g/mol
Exact Mass367.14
IUPAC Name(2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride
SMILESCOc1cc(C)ccc1OC(c1cccc(F)c1)[C@@H]1CNCCO1.Cl
InChIInChI=1S/C19H22FNO3.ClH/c1-13-6-7-16(17(10-13)22-2)24-19(18-12-21-8-9-23-18)14-4-3-5-15(20)11-14;/h3-7,10-11,18-19,21H,8-9,12H2,1-2H3;1H/t18-,19?;/m0./s1
InChIKeyBAPLSIZHFRQMBR-HMEPSURWSA-N
XLogP3.67
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
CID 68598787
2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 90905333
2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine
CID 68599939
2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine
CID 91423656
(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine
CID 68596273
(2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
CID 68597724
(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methoxyphenyl)methyl]morpholine;hydrochloride
CID 68598644
(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68599403
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042
(2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine
CID 68598616
2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride
CID 68597668
(2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68597015

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride?
The IUPAC name of (2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride (CID 68598484) is (2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride.
What is the SMILES notation for (2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride?
The canonical SMILES for (2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride is COc1cc(C)ccc1OC(c1cccc(F)c1)[C@@H]1CNCCO1.Cl.
What is the InChIKey of (2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride?
The InChIKey is BAPLSIZHFRQMBR-HMEPSURWSA-N. The full InChI is InChI=1S/C19H22FNO3.ClH/c1-13-6-7-16(17(10-13)22-2)24-19(18-12-21-8-9-23-18)14-4-3-5-15(20)11-14;/h3-7,10-11,18-19,21H,8-9,12H2,1-2H3;1H/t18-,19?;/m0./s1.
What are the key properties of (2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride?
(2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride has a molecular weight of 367.85 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride is sourced from PubChem (CID 68598484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).