2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane

C20H39NO5 — CID 156754219

IUPAC2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane
SMILESCC.CC.CNCCOCCOCc1c(OC)cc(COC)cc1OC
InChIInChI=1S/C16H27NO5.2C2H6/c1-17-5-6-21-7-8-22-12-14-15(19-3)9-13(11-18-2)10-16(14)20-4;2*1-2/h9-10,17H,5-8,11-12H2,1-4H3;2*1-2H3
InChIKeyIZMCRFOCKISCHL-UHFFFAOYSA-N
MW373.53 g/mol
LogP3.66
Rot. Bonds12

About 2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane

2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane (PubChem CID 156754219) has the molecular formula C20H39NO5 and a molecular weight of 373.53 g/mol. Its IUPAC name is 2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane.

Molecular Properties

Compound Name2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane
PubChem CID156754219
Molecular FormulaC20H39NO5
Molecular Weight373.53 g/mol
Exact Mass373.28
IUPAC Name2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane
SMILESCC.CC.CNCCOCCOCc1c(OC)cc(COC)cc1OC
InChIInChI=1S/C16H27NO5.2C2H6/c1-17-5-6-21-7-8-22-12-14-15(19-3)9-13(11-18-2)10-16(14)20-4;2*1-2/h9-10,17H,5-8,11-12H2,1-4H3;2*1-2H3
InChIKeyIZMCRFOCKISCHL-UHFFFAOYSA-N
XLogP3.66
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-N-methoxymethanamine
CID 117355207
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 163400177
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 146502176
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 86705991
2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine;1-methoxy-2-(2-methoxyethoxy)ethane
CID 168897586
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine
CID 65304742
2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene
CID 24770685
2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine
CID 62336435
2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
CID 117327131
2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine
CID 135175798
2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
CID 117465307

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane?
The IUPAC name of 2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane (CID 156754219) is 2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane.
What is the SMILES notation for 2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane?
The canonical SMILES for 2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane is CC.CC.CNCCOCCOCc1c(OC)cc(COC)cc1OC.
What is the InChIKey of 2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane?
The InChIKey is IZMCRFOCKISCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO5.2C2H6/c1-17-5-6-21-7-8-22-12-14-15(19-3)9-13(11-18-2)10-16(14)20-4;2*1-2/h9-10,17H,5-8,11-12H2,1-4H3;2*1-2H3.
What are the key properties of 2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane?
2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane has a molecular weight of 373.53 g/mol, XLogP of 3.66, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methoxy]ethoxy]-N-methylethanamine;ethane is sourced from PubChem (CID 156754219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).