2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine

C21H30N2O5 — CID 120509291

IUPAC2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(OC)c(CNCC(c2ccc(C)o2)N2CCOCC2)c(OC)c1
InChIInChI=1S/C21H30N2O5/c1-15-5-6-19(28-15)18(23-7-9-27-10-8-23)14-22-13-17-20(25-3)11-16(24-2)12-21(17)26-4/h5-6,11-12,18,22H,7-10,13-14H2,1-4H3
InChIKeyWIHXLYUWBXYSIG-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.78
Rot. Bonds9

About 2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine

2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine (PubChem CID 120509291) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
PubChem CID120509291
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(OC)c(CNCC(c2ccc(C)o2)N2CCOCC2)c(OC)c1
InChIInChI=1S/C21H30N2O5/c1-15-5-6-19(28-15)18(23-7-9-27-10-8-23)14-22-13-17-20(25-3)11-16(24-2)12-21(17)26-4/h5-6,11-12,18,22H,7-10,13-14H2,1-4H3
InChIKeyWIHXLYUWBXYSIG-UHFFFAOYSA-N
XLogP2.78
TPSA65.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine with MolForge

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Related Compounds

2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol
CID 47015161
2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 120509276
2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propan-1-amine
CID 120509320
methyl 4-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]benzoate
CID 120665849
N-[(2-chloro-6-fluorophenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 120509260
N-[(3-fluoro-4-methylphenyl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 119126597
4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 24643793
2-(5-chloro-2-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 24643794
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111181346
2-fluoro-4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 32707160
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 46457175
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethanamine
CID 120509310

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine (CID 120509291) is 2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine is COc1cc(OC)c(CNCC(c2ccc(C)o2)N2CCOCC2)c(OC)c1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is WIHXLYUWBXYSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-15-5-6-19(28-15)18(23-7-9-27-10-8-23)14-22-13-17-20(25-3)11-16(24-2)12-21(17)26-4/h5-6,11-12,18,22H,7-10,13-14H2,1-4H3.
What are the key properties of 2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine?
2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 390.48 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-2-morpholin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 120509291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).