2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine

C13H21NO4 — CID 65305545

IUPAC2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine
SMILESCOc1ccc(CCOCCN)c(OC)c1OC
InChIInChI=1S/C13H21NO4/c1-15-11-5-4-10(6-8-18-9-7-14)12(16-2)13(11)17-3/h4-5H,6-9,14H2,1-3H3
InChIKeyWAELEIDAQDGPCR-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.23
Rot. Bonds8

About 2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine

2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine (PubChem CID 65305545) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine
PubChem CID65305545
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine
SMILESCOc1ccc(CCOCCN)c(OC)c1OC
InChIInChI=1S/C13H21NO4/c1-15-11-5-4-10(6-8-18-9-7-14)12(16-2)13(11)17-3/h4-5H,6-9,14H2,1-3H3
InChIKeyWAELEIDAQDGPCR-UHFFFAOYSA-N
XLogP1.23
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]propan-1-amine
CID 65302821
N-[2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethyl]cyclopropanamine
CID 65303577
3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 65305448
trimethoxy-[3-(2,3,4-trimethoxyphenyl)propyl]silane
CID 174513383
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
3-(2,3,4-trimethoxyphenyl)propyl 2-methylprop-2-enoate
CID 175430162
(2S)-2-N-[(2,3,4-trimethoxyphenyl)methyl]propane-1,2-diamine
CID 104867748
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
N'-[(2,3,4-trimethoxyphenyl)methyl]butane-1,4-diamine
CID 60895231
2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine
CID 117320406
2-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propan-2-amine
CID 64865802

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine (CID 65305545) is 2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine is COc1ccc(CCOCCN)c(OC)c1OC.
What is the InChIKey of 2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine?
The InChIKey is WAELEIDAQDGPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-15-11-5-4-10(6-8-18-9-7-14)12(16-2)13(11)17-3/h4-5H,6-9,14H2,1-3H3.
What are the key properties of 2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine?
2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine has a molecular weight of 255.31 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine is sourced from PubChem (CID 65305545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).