[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine

C15H24N2O4 — CID 114393343

IUPAC[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
SMILESCOc1ccc(CN2CCOC(CN)C2)c(OC)c1OC
InChIInChI=1S/C15H24N2O4/c1-18-13-5-4-11(14(19-2)15(13)20-3)9-17-6-7-21-12(8-16)10-17/h4-5,12H,6-10,16H2,1-3H3
InChIKeyNWFSMVVFFITCPV-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.87
Rot. Bonds6

About [4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine

[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine (PubChem CID 114393343) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is [4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
PubChem CID114393343
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
SMILESCOc1ccc(CN2CCOC(CN)C2)c(OC)c1OC
InChIInChI=1S/C15H24N2O4/c1-18-13-5-4-11(14(19-2)15(13)20-3)9-17-6-7-21-12(8-16)10-17/h4-5,12H,6-10,16H2,1-3H3
InChIKeyNWFSMVVFFITCPV-UHFFFAOYSA-N
XLogP0.87
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine with MolForge

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Related Compounds

4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393440
[4-[[2-(methoxymethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114397886
[4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393408
5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile
CID 114397814
N-[[(2R)-4-[(2,3-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]acetamide
CID 124614604
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 29185207
[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 171625171
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
[4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 154888895
[4-[(2-methylquinolin-4-yl)methyl]morpholin-2-yl]methanamine
CID 79235234

Frequently Asked Questions

What is the IUPAC name of [4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine (CID 114393343) is [4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine is COc1ccc(CN2CCOC(CN)C2)c(OC)c1OC.
What is the InChIKey of [4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine?
The InChIKey is NWFSMVVFFITCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-18-13-5-4-11(14(19-2)15(13)20-3)9-17-6-7-21-12(8-16)10-17/h4-5,12H,6-10,16H2,1-3H3.
What are the key properties of [4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine?
[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine has a molecular weight of 296.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114393343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).