(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine

C18H28N2O4 — CID 170603335

IUPAC(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
SMILESc1cc(COC[C@@H]2CNCCO2)ccc1COC[C@@H]1CNCCO1
InChIInChI=1S/C18H28N2O4/c1-2-16(12-22-14-18-10-20-6-8-24-18)4-3-15(1)11-21-13-17-9-19-5-7-23-17/h1-4,17-20H,5-14H2/t17-,18-/m0/s1
InChIKeyYBFHEYSGSHTNEA-ROUUACIJSA-N
MW336.43 g/mol
LogP0.70
Rot. Bonds8

About (2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine

(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine (PubChem CID 170603335) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is (2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
PubChem CID170603335
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
SMILESc1cc(COC[C@@H]2CNCCO2)ccc1COC[C@@H]1CNCCO1
InChIInChI=1S/C18H28N2O4/c1-2-16(12-22-14-18-10-20-6-8-24-18)4-3-15(1)11-21-13-17-9-19-5-7-23-17/h1-4,17-20H,5-14H2/t17-,18-/m0/s1
InChIKeyYBFHEYSGSHTNEA-ROUUACIJSA-N
XLogP0.70
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine with MolForge

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Related Compounds

2-(quinolin-6-ylmethoxymethyl)morpholine
CID 114468331
2-[(3-fluoro-4-nitrophenyl)methoxymethyl]morpholine
CID 114468447
(E)-but-2-enedioic acid;bis(2-(phenylmethoxymethoxymethyl)morpholine)
CID 6449225
2-[(4-methoxy-3-nitrophenyl)methoxymethyl]morpholine
CID 114468404
(2R)-2-(cyclopropylmethoxymethyl)morpholine
CID 95369053
2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
CID 146491565
2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile
CID 107118745
4-fluoro-2-(morpholin-2-ylmethoxymethyl)benzonitrile
CID 107906460
2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxymethyl]morpholine
CID 114468442
2-[(4-benzylphenoxy)methyl]morpholine
CID 64533663
2-[(2-methyltetrazol-5-yl)methoxymethyl]morpholine
CID 107044482
2-[(1-pentan-3-ylpyrazol-3-yl)methoxymethyl]morpholine
CID 114468426

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine?
The IUPAC name of (2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine (CID 170603335) is (2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine.
What is the SMILES notation for (2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine?
The canonical SMILES for (2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine is c1cc(COC[C@@H]2CNCCO2)ccc1COC[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine?
The InChIKey is YBFHEYSGSHTNEA-ROUUACIJSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-2-16(12-22-14-18-10-20-6-8-24-18)4-3-15(1)11-21-13-17-9-19-5-7-23-17/h1-4,17-20H,5-14H2/t17-,18-/m0/s1.
What are the key properties of (2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine?
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine has a molecular weight of 336.43 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine is sourced from PubChem (CID 170603335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).