(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine

C20H25NO3 — CID 176754636

IUPAC(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
SMILESc1ccc(COC[C@@H]2CNC[C@@H](COCc3ccccc3)O2)cc1
InChIInChI=1S/C20H25NO3/c1-3-7-17(8-4-1)13-22-15-19-11-21-12-20(24-19)16-23-14-18-9-5-2-6-10-18/h1-10,19-21H,11-16H2/t19-,20-/m0/s1
InChIKeySQHWTCXRDGKXAF-PMACEKPBSA-N
MW327.42 g/mol
LogP2.78
Rot. Bonds8

About (2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine

(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine (PubChem CID 176754636) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine.

Molecular Properties

Compound Name(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
PubChem CID176754636
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
SMILESc1ccc(COC[C@@H]2CNC[C@@H](COCc3ccccc3)O2)cc1
InChIInChI=1S/C20H25NO3/c1-3-7-17(8-4-1)13-22-15-19-11-21-12-20(24-19)16-23-14-18-9-5-2-6-10-18/h1-10,19-21H,11-16H2/t19-,20-/m0/s1
InChIKeySQHWTCXRDGKXAF-PMACEKPBSA-N
XLogP2.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-2-methyl-6-(phenylmethoxymethyl)morpholine
CID 68662666
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
2-(phenylmethoxymethyl)-1-oxa-4-azaspiro[5.5]undecane
CID 65103450
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
2-[(3-fluorophenyl)methoxymethyl]-6-methylmorpholine
CID 102633920
2-(phenylmethoxymethyl)-5-propan-2-ylmorpholine
CID 79246718
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(6S)-4-benzyl-6-(phenylmethoxymethyl)morpholine-2-carbonitrile
CID 130274489
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
CID 170603335
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 11622905

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine?
The IUPAC name of (2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine (CID 176754636) is (2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine.
What is the SMILES notation for (2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine?
The canonical SMILES for (2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine is c1ccc(COC[C@@H]2CNC[C@@H](COCc3ccccc3)O2)cc1.
What is the InChIKey of (2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine?
The InChIKey is SQHWTCXRDGKXAF-PMACEKPBSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-7-17(8-4-1)13-22-15-19-11-21-12-20(24-19)16-23-14-18-9-5-2-6-10-18/h1-10,19-21H,11-16H2/t19-,20-/m0/s1.
What are the key properties of (2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine?
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine has a molecular weight of 327.42 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine is sourced from PubChem (CID 176754636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).