(2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine

C17H26N2O4 — CID 170342980

IUPAC(2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine
SMILESCc1cc(OC[C@@H]2CNCCO2)cc(OC[C@@H]2CNCCO2)c1
InChIInChI=1S/C17H26N2O4/c1-13-6-14(22-11-16-9-18-2-4-20-16)8-15(7-13)23-12-17-10-19-3-5-21-17/h6-8,16-19H,2-5,9-12H2,1H3/t16-,17-/m0/s1
InChIKeyVPOORBWAQUFWBP-IRXDYDNUSA-N
MW322.40 g/mol
LogP0.73
Rot. Bonds6

About (2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine

(2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine (PubChem CID 170342980) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is (2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine
PubChem CID170342980
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name(2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine
SMILESCc1cc(OC[C@@H]2CNCCO2)cc(OC[C@@H]2CNCCO2)c1
InChIInChI=1S/C17H26N2O4/c1-13-6-14(22-11-16-9-18-2-4-20-16)8-15(7-13)23-12-17-10-19-3-5-21-17/h6-8,16-19H,2-5,9-12H2,1H3/t16-,17-/m0/s1
InChIKeyVPOORBWAQUFWBP-IRXDYDNUSA-N
XLogP0.73
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine with MolForge

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Related Compounds

2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]morpholine
CID 114469199
2-[(4-chlorophenoxy)methyl]morpholine
CID 19964403
2-[[3-(morpholin-2-ylmethoxy)pyrazin-2-yl]oxymethyl]morpholine
CID 68542805
ethyl 4-(morpholin-2-ylmethoxy)benzoate
CID 19983185
2-[(4-ethylsulfonylphenoxy)methyl]morpholine
CID 114469326
2-[(4-benzylphenoxy)methyl]morpholine
CID 64533663
(2S)-2-(methoxymethyl)morpholine
CID 10103206
(2S)-2-(methoxymethyl)morpholine;(2R)-2-(methoxymethyl)morpholine
CID 163652511
3-(morpholin-2-ylmethoxy)benzoic acid
CID 174949498
2-[2-(4-methylphenoxy)ethyl]morpholine
CID 54402236
2-[4-(morpholin-2-ylmethoxy)phenyl]ethanol;hydrochloride
CID 90230019
(2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine
CID 71752946

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine?
The IUPAC name of (2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine (CID 170342980) is (2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine.
What is the SMILES notation for (2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine?
The canonical SMILES for (2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine is Cc1cc(OC[C@@H]2CNCCO2)cc(OC[C@@H]2CNCCO2)c1.
What is the InChIKey of (2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine?
The InChIKey is VPOORBWAQUFWBP-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-13-6-14(22-11-16-9-18-2-4-20-16)8-15(7-13)23-12-17-10-19-3-5-21-17/h6-8,16-19H,2-5,9-12H2,1H3/t16-,17-/m0/s1.
What are the key properties of (2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine?
(2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine has a molecular weight of 322.40 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-methyl-5-[[(2S)-morpholin-2-yl]methoxy]phenoxy]methyl]morpholine is sourced from PubChem (CID 170342980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).