4-[(2,3,4-trimethoxyphenyl)methyl]morpholine

C14H21NO4 — CID 782614

IUPAC4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCOCC2)c(OC)c1OC
InChIInChI=1S/C14H21NO4/c1-16-12-5-4-11(13(17-2)14(12)18-3)10-15-6-8-19-9-7-15/h4-5H,6-10H2,1-3H3
InChIKeyMGVIMZSLIDSZKZ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.54
Rot. Bonds5

About 4-[(2,3,4-trimethoxyphenyl)methyl]morpholine

4-[(2,3,4-trimethoxyphenyl)methyl]morpholine (PubChem CID 782614) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-[(2,3,4-trimethoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
PubChem CID782614
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCOCC2)c(OC)c1OC
InChIInChI=1S/C14H21NO4/c1-16-12-5-4-11(13(17-2)14(12)18-3)10-15-6-8-19-9-7-15/h4-5H,6-10H2,1-3H3
InChIKeyMGVIMZSLIDSZKZ-UHFFFAOYSA-N
XLogP1.54
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17418891
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride
CID 6457021
1-[(2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1126216
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 9127833
1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 771936
[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393343
1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3049530
1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 787037
[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbothioyl]sulfanyl 4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbodithioate
CID 88521116
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,4-trimethoxyphenyl)methyl]morpholine?
The IUPAC name of 4-[(2,3,4-trimethoxyphenyl)methyl]morpholine (CID 782614) is 4-[(2,3,4-trimethoxyphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(2,3,4-trimethoxyphenyl)methyl]morpholine?
The canonical SMILES for 4-[(2,3,4-trimethoxyphenyl)methyl]morpholine is COc1ccc(CN2CCOCC2)c(OC)c1OC.
What is the InChIKey of 4-[(2,3,4-trimethoxyphenyl)methyl]morpholine?
The InChIKey is MGVIMZSLIDSZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-16-12-5-4-11(13(17-2)14(12)18-3)10-15-6-8-19-9-7-15/h4-5H,6-10H2,1-3H3.
What are the key properties of 4-[(2,3,4-trimethoxyphenyl)methyl]morpholine?
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine has a molecular weight of 267.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,4-trimethoxyphenyl)methyl]morpholine is sourced from PubChem (CID 782614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).