N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine

C13H21NO3 — CID 14089100

IUPACN-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCCNCCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H21NO3/c1-5-14-7-6-10-8-11(15-2)13(17-4)12(9-10)16-3/h8-9,14H,5-7H2,1-4H3
InChIKeyLIBBCZOPAZDNJW-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.86
Rot. Bonds7

About N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine

N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 14089100) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID14089100
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCCNCCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C13H21NO3/c1-5-14-7-6-10-8-11(15-2)13(17-4)12(9-10)16-3/h8-9,14H,5-7H2,1-4H3
InChIKeyLIBBCZOPAZDNJW-UHFFFAOYSA-N
XLogP1.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,4,5-trimethoxyphenyl)ethylamino]methanethiol
CID 115228320
2-(3,4,5-trimethoxyphenyl)ethylazanium
CID 6918993
3-[2-(3,4,5-trimethoxyphenyl)ethylamino]propane-1,2-diol
CID 70584984
2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
CID 82643956
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate
CID 113095674
1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene
CID 71658869
N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamoyl bromide
CID 115193996
2-(3,4,5-trimethoxyphenyl)ethylsilane
CID 175460216
N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine
CID 143866494
1,2-dimethoxy-3-methyl-5-propylbenzene;ethane
CID 142056687
5-(3-iodopropyl)-1,2,3-trimethoxybenzene
CID 10640570

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine (CID 14089100) is N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine is CCNCCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is LIBBCZOPAZDNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-14-7-6-10-8-11(15-2)13(17-4)12(9-10)16-3/h8-9,14H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine?
N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 239.31 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 14089100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).