[4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine

C15H24N2O4 — CID 114393408

IUPAC[4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
SMILESCOc1cc(OC)c(CN2CCOC(CN)C2)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-18-11-6-14(19-2)13(15(7-11)20-3)10-17-4-5-21-12(8-16)9-17/h6-7,12H,4-5,8-10,16H2,1-3H3
InChIKeyVKJOSEYYYYPRMI-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.87
Rot. Bonds6

About [4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine

[4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine (PubChem CID 114393408) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is [4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
PubChem CID114393408
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name[4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
SMILESCOc1cc(OC)c(CN2CCOC(CN)C2)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-18-11-6-14(19-2)13(15(7-11)20-3)10-17-4-5-21-12(8-16)9-17/h6-7,12H,4-5,8-10,16H2,1-3H3
InChIKeyVKJOSEYYYYPRMI-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

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Related Compounds

[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393440
5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile
CID 114397814
[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393343
[4-[[2-(methoxymethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114397886
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699
[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393446
[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
CID 120844436
[4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398431
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
CID 115413796
1-[[(2S)-2-ethylmorpholin-4-yl]methyl]-7-methoxynaphthalen-2-ol
CID 34894357

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine (CID 114393408) is [4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine is COc1cc(OC)c(CN2CCOC(CN)C2)c(OC)c1.
What is the InChIKey of [4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine?
The InChIKey is VKJOSEYYYYPRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-18-11-6-14(19-2)13(15(7-11)20-3)10-17-4-5-21-12(8-16)9-17/h6-7,12H,4-5,8-10,16H2,1-3H3.
What are the key properties of [4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine?
[4-[(2,4,6-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-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114393408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).