(2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride

C19H23ClFNO3 — CID 68598787

IUPAC(2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
SMILESCOc1cc(F)ccc1O[C@@H](c1cccc(C)c1)[C@@H]1CNCCO1.Cl
InChIInChI=1S/C19H22FNO3.ClH/c1-13-4-3-5-14(10-13)19(18-12-21-8-9-23-18)24-16-7-6-15(20)11-17(16)22-2;/h3-7,10-11,18-19,21H,8-9,12H2,1-2H3;1H/t18-,19-;/m0./s1
InChIKeyNGYKPUGXPCNHLC-HLRBRJAUSA-N
MW367.85 g/mol
LogP3.67
Rot. Bonds5

About (2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride

(2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride (PubChem CID 68598787) has the molecular formula C19H23ClFNO3 and a molecular weight of 367.85 g/mol. Its IUPAC name is (2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
PubChem CID68598787
Molecular FormulaC19H23ClFNO3
Molecular Weight367.85 g/mol
Exact Mass367.14
IUPAC Name(2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
SMILESCOc1cc(F)ccc1O[C@@H](c1cccc(C)c1)[C@@H]1CNCCO1.Cl
InChIInChI=1S/C19H22FNO3.ClH/c1-13-4-3-5-14(10-13)19(18-12-21-8-9-23-18)24-16-7-6-15(20)11-17(16)22-2;/h3-7,10-11,18-19,21H,8-9,12H2,1-2H3;1H/t18-,19-;/m0./s1
InChIKeyNGYKPUGXPCNHLC-HLRBRJAUSA-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

Analyze (2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
CID 68597724
2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine
CID 91423656
(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine
CID 68596273
2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine
CID 68599939
(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methoxyphenyl)methyl]morpholine;hydrochloride
CID 68598644
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042
(2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine
CID 68598616
(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68599403
(2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine
CID 68542716

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride?
The IUPAC name of (2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride (CID 68598787) is (2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride.
What is the SMILES notation for (2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride?
The canonical SMILES for (2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride is COc1cc(F)ccc1O[C@@H](c1cccc(C)c1)[C@@H]1CNCCO1.Cl.
What is the InChIKey of (2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride?
The InChIKey is NGYKPUGXPCNHLC-HLRBRJAUSA-N. The full InChI is InChI=1S/C19H22FNO3.ClH/c1-13-4-3-5-14(10-13)19(18-12-21-8-9-23-18)24-16-7-6-15(20)11-17(16)22-2;/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-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride?
(2S)-2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)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-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride is sourced from PubChem (CID 68598787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).