(2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine

C18H20ClNO3 — CID 68600973

IUPAC(2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine
SMILESCOc1c(Cl)cccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H20ClNO3/c1-21-18-14(19)8-5-9-15(18)23-17(13-6-3-2-4-7-13)16-12-20-10-11-22-16/h2-9,16-17,20H,10-12H2,1H3/t16-,17-/m0/s1
InChIKeyQPMLBVDWGQMIOH-IRXDYDNUSA-N
MW333.81 g/mol
LogP3.46
Rot. Bonds5

About (2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine

(2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine (PubChem CID 68600973) has the molecular formula C18H20ClNO3 and a molecular weight of 333.81 g/mol. Its IUPAC name is (2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine
PubChem CID68600973
Molecular FormulaC18H20ClNO3
Molecular Weight333.81 g/mol
Exact Mass333.11
IUPAC Name(2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine
SMILESCOc1c(Cl)cccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H20ClNO3/c1-21-18-14(19)8-5-9-15(18)23-17(13-6-3-2-4-7-13)16-12-20-10-11-22-16/h2-9,16-17,20H,10-12H2,1H3/t16-,17-/m0/s1
InChIKeyQPMLBVDWGQMIOH-IRXDYDNUSA-N
XLogP3.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
CID 45101528
2-[(4-chloro-3-methoxyphenoxy)-phenylmethyl]morpholine
CID 68599492
2-[[2-(methoxymethyl)phenoxy]-phenylmethyl]morpholine
CID 11709415
2-[(2-methoxy-3-pyridinyl)oxy-phenylmethyl]morpholine
CID 68541459
2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine
CID 68542255
2-[(2-methoxy-4-methylphenoxy)-phenylmethyl]morpholine
CID 68599939
2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
CID 68597322
(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;hydrochloride
CID 46178247
2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine
CID 91423656
(2S)-2-[phenoxy(phenyl)methyl]morpholine
CID 68539153
(2S)-2-[[2-(2-methylpropyl)phenoxy]-phenylmethyl]morpholine
CID 68538263
2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine
CID 68542729

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine?
The IUPAC name of (2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine (CID 68600973) is (2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine is COc1c(Cl)cccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine?
The InChIKey is QPMLBVDWGQMIOH-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-21-18-14(19)8-5-9-15(18)23-17(13-6-3-2-4-7-13)16-12-20-10-11-22-16/h2-9,16-17,20H,10-12H2,1H3/t16-,17-/m0/s1.
What are the key properties of (2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine?
(2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine has a molecular weight of 333.81 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 68600973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).