(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride

C13H20ClNO4 — CID 171192526

IUPAC(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride
SMILESCOc1cc(OC)c([C@@H]2COCCN2)c(OC)c1.Cl
InChIInChI=1S/C13H19NO4.ClH/c1-15-9-6-11(16-2)13(12(7-9)17-3)10-8-18-5-4-14-10;/h6-7,10,14H,4-5,8H2,1-3H3;1H/t10-;/m0./s1
InChIKeyXAOPUYNNXVDDMY-PPHPATTJSA-N
MW289.76 g/mol
LogP1.80
Rot. Bonds4

About (3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride

(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride (PubChem CID 171192526) has the molecular formula C13H20ClNO4 and a molecular weight of 289.76 g/mol. Its IUPAC name is (3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride
PubChem CID171192526
Molecular FormulaC13H20ClNO4
Molecular Weight289.76 g/mol
Exact Mass289.11
IUPAC Name(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride
SMILESCOc1cc(OC)c([C@@H]2COCCN2)c(OC)c1.Cl
InChIInChI=1S/C13H19NO4.ClH/c1-15-9-6-11(16-2)13(12(7-9)17-3)10-8-18-5-4-14-10;/h6-7,10,14H,4-5,8H2,1-3H3;1H/t10-;/m0./s1
InChIKeyXAOPUYNNXVDDMY-PPHPATTJSA-N
XLogP1.80
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluoro-4,6-dimethoxyphenyl)morpholine
CID 84800886
3-(4-bromo-2,6-dimethoxyphenyl)morpholine
CID 154562086
(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166
(3S)-3-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]morpholine
CID 171193437
3-methoxy-2-[(3R)-morpholin-3-yl]phenol
CID 131502010
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
(3R)-3-(2-methoxynaphthalen-1-yl)morpholine;hydrochloride
CID 171192849
(3S)-3-(3-methoxyphenyl)morpholine
CID 42183281
(3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride
CID 171192624
(3R)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171192539
(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072
2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol
CID 131429409

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride?
The IUPAC name of (3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride (CID 171192526) is (3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride.
What is the SMILES notation for (3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride?
The canonical SMILES for (3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride is COc1cc(OC)c([C@@H]2COCCN2)c(OC)c1.Cl.
What is the InChIKey of (3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride?
The InChIKey is XAOPUYNNXVDDMY-PPHPATTJSA-N. The full InChI is InChI=1S/C13H19NO4.ClH/c1-15-9-6-11(16-2)13(12(7-9)17-3)10-8-18-5-4-14-10;/h6-7,10,14H,4-5,8H2,1-3H3;1H/t10-;/m0./s1.
What are the key properties of (3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride?
(3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride has a molecular weight of 289.76 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,4,6-trimethoxyphenyl)morpholine;hydrochloride is sourced from PubChem (CID 171192526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).