(2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine

C19H22ClNO3 — CID 127031518

IUPAC(2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine
SMILESCOc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1Cl
InChIInChI=1S/C19H22ClNO3/c1-22-19-11-15(7-8-18(19)20)12-21-9-10-23-17(13-21)14-24-16-5-3-2-4-6-16/h2-8,11,17H,9-10,12-14H2,1H3/t17-/m0/s1
InChIKeyVAARALHTIMJCFU-KRWDZBQOSA-N
MW347.84 g/mol
LogP3.63
Rot. Bonds6

About (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine

(2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine (PubChem CID 127031518) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine
PubChem CID127031518
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name(2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine
SMILESCOc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1Cl
InChIInChI=1S/C19H22ClNO3/c1-22-19-11-15(7-8-18(19)20)12-21-9-10-23-17(13-21)14-24-16-5-3-2-4-6-16/h2-8,11,17H,9-10,12-14H2,1H3/t17-/m0/s1
InChIKeyVAARALHTIMJCFU-KRWDZBQOSA-N
XLogP3.63
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine?
The IUPAC name of (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine (CID 127031518) is (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine.
What is the SMILES notation for (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine?
The canonical SMILES for (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine is COc1cc(CN2CCO[C@H](COc3ccccc3)C2)ccc1Cl.
What is the InChIKey of (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine?
The InChIKey is VAARALHTIMJCFU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-22-19-11-15(7-8-18(19)20)12-21-9-10-23-17(13-21)14-24-16-5-3-2-4-6-16/h2-8,11,17H,9-10,12-14H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine?
(2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine has a molecular weight of 347.84 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(4-chloro-3-methoxyphenyl)methyl]-2-(phenoxymethyl)morpholine is sourced from PubChem (CID 127031518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).