(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine

C18H19ClFNO2 — CID 68596273

IUPAC(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine
SMILESCc1cccc(C(Oc2ccc(F)cc2Cl)[C@@H]2CNCCO2)c1
InChIInChI=1S/C18H19ClFNO2/c1-12-3-2-4-13(9-12)18(17-11-21-7-8-22-17)23-16-6-5-14(20)10-15(16)19/h2-6,9-10,17-18,21H,7-8,11H2,1H3/t17-,18?/m0/s1
InChIKeyRNTBXZIMQVJIEP-ZENAZSQFSA-N
MW335.81 g/mol
LogP3.90
Rot. Bonds4

About (2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine

(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine (PubChem CID 68596273) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is (2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine
PubChem CID68596273
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine
SMILESCc1cccc(C(Oc2ccc(F)cc2Cl)[C@@H]2CNCCO2)c1
InChIInChI=1S/C18H19ClFNO2/c1-12-3-2-4-13(9-12)18(17-11-21-7-8-22-17)23-16-6-5-14(20)10-15(16)19/h2-6,9-10,17-18,21H,7-8,11H2,1H3/t17-,18?/m0/s1
InChIKeyRNTBXZIMQVJIEP-ZENAZSQFSA-N
XLogP3.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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-fluoro-2-methoxyphenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
CID 68598787
2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine
CID 91482587
(2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride
CID 68598484
(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68599403
2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine
CID 91423656
2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 90905333
(2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine
CID 68542716
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042
(2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68597015
2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine
CID 68599939

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine?
The IUPAC name of (2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine (CID 68596273) is (2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine is Cc1cccc(C(Oc2ccc(F)cc2Cl)[C@@H]2CNCCO2)c1.
What is the InChIKey of (2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine?
The InChIKey is RNTBXZIMQVJIEP-ZENAZSQFSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-12-3-2-4-13(9-12)18(17-11-21-7-8-22-17)23-16-6-5-14(20)10-15(16)19/h2-6,9-10,17-18,21H,7-8,11H2,1H3/t17-,18?/m0/s1.
What are the key properties of (2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine?
(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine has a molecular weight of 335.81 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine is sourced from PubChem (CID 68596273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).