(2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine

C16H25NO4 — CID 755065

IUPAC(2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine
SMILESCOc1cc(CN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-11-8-17(9-12(2)21-11)10-13-6-14(18-3)16(20-5)15(7-13)19-4/h6-7,11-12H,8-10H2,1-5H3/t11-,12-/m0/s1
InChIKeyTXLNIANPRVXFQI-RYUDHWBXSA-N
MW295.38 g/mol
LogP2.32
Rot. Bonds5

About (2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine

(2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine (PubChem CID 755065) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine
PubChem CID755065
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name(2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine
SMILESCOc1cc(CN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-11-8-17(9-12(2)21-11)10-13-6-14(18-3)16(20-5)15(7-13)19-4/h6-7,11-12H,8-10H2,1-5H3/t11-,12-/m0/s1
InChIKeyTXLNIANPRVXFQI-RYUDHWBXSA-N
XLogP2.32
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
(2R,6R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 94825759
(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine
CID 51924313
4-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-2,6-dimethylmorpholine
CID 84754118
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790134
5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65339301
(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 6937591
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanethione
CID 40963230
1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol
CID 2838185
5-(2-methoxyethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 171141817
1-[(3-iodo-4,5-dimethoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909766

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine (CID 755065) is (2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine is COc1cc(CN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine?
The InChIKey is TXLNIANPRVXFQI-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H25NO4/c1-11-8-17(9-12(2)21-11)10-13-6-14(18-3)16(20-5)15(7-13)19-4/h6-7,11-12H,8-10H2,1-5H3/t11-,12-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine?
(2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine has a molecular weight of 295.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine is sourced from PubChem (CID 755065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).