(2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine

C17H16Cl2FNO2 — CID 124564123

IUPAC(2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine
SMILESFc1cccc(Cl)c1COc1ccc([C@H]2CNCCO2)cc1Cl
InChIInChI=1S/C17H16Cl2FNO2/c18-13-2-1-3-15(20)12(13)10-23-16-5-4-11(8-14(16)19)17-9-21-6-7-22-17/h1-5,8,17,21H,6-7,9-10H2/t17-/m1/s1
InChIKeyCYRIVOKMAGXRNK-QGZVFWFLSA-N
MW356.22 g/mol
LogP4.37
Rot. Bonds4

About (2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine

(2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine (PubChem CID 124564123) has the molecular formula C17H16Cl2FNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is (2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine
PubChem CID124564123
Molecular FormulaC17H16Cl2FNO2
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name(2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine
SMILESFc1cccc(Cl)c1COc1ccc([C@H]2CNCCO2)cc1Cl
InChIInChI=1S/C17H16Cl2FNO2/c18-13-2-1-3-15(20)12(13)10-23-16-5-4-11(8-14(16)19)17-9-21-6-7-22-17/h1-5,8,17,21H,6-7,9-10H2/t17-/m1/s1
InChIKeyCYRIVOKMAGXRNK-QGZVFWFLSA-N
XLogP4.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine with MolForge

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Related Compounds

2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine
CID 157346980
2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
2-(3-chloro-4-fluorophenyl)-1,4-oxazepane
CID 43498384
2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]morpholine
CID 117454632
4-morpholin-2-yl-2-phenylmethoxyphenol
CID 117459594
2-[4-methoxy-3-(methoxymethyl)phenyl]morpholine
CID 117346859
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine
CID 117446560
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
2-(4-phenylmethoxy-3-propylphenyl)morpholine
CID 69353396

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine?
The IUPAC name of (2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine (CID 124564123) is (2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine.
What is the SMILES notation for (2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine?
The canonical SMILES for (2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine is Fc1cccc(Cl)c1COc1ccc([C@H]2CNCCO2)cc1Cl.
What is the InChIKey of (2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine?
The InChIKey is CYRIVOKMAGXRNK-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16Cl2FNO2/c18-13-2-1-3-15(20)12(13)10-23-16-5-4-11(8-14(16)19)17-9-21-6-7-22-17/h1-5,8,17,21H,6-7,9-10H2/t17-/m1/s1.
What are the key properties of (2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine?
(2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine has a molecular weight of 356.22 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]morpholine is sourced from PubChem (CID 124564123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).