N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine

C13H21NO4 — CID 82710078

IUPACN-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCCONC(C)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H21NO4/c1-6-18-14-9(2)10-7-11(15-3)13(17-5)12(8-10)16-4/h7-9,14H,6H2,1-5H3
InChIKeyJEODXLPBESODOF-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.31
Rot. Bonds7

About N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine

N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 82710078) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID82710078
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC NameN-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCCONC(C)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H21NO4/c1-6-18-14-9(2)10-7-11(15-3)13(17-5)12(8-10)16-4/h7-9,14H,6H2,1-5H3
InChIKeyJEODXLPBESODOF-UHFFFAOYSA-N
XLogP2.31
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82711410
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine
CID 43173534
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-1-amine
CID 43363394
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 64568461
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-yn-1-amine
CID 43363384
2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 103460607
N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 119126875
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740
2-methyl-N-propyl-1-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 114978465
1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
CID 175788959

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine (CID 82710078) is N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine is CCONC(C)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is JEODXLPBESODOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-6-18-14-9(2)10-7-11(15-3)13(17-5)12(8-10)16-4/h7-9,14H,6H2,1-5H3.
What are the key properties of N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine?
N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 82710078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).