2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline

C19H25NO4 — CID 143974570

IUPAC2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline
SMILESCCOc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H25NO4/c1-5-24-16-9-8-13(10-15(16)20)6-7-14-11-17(21-2)19(23-4)18(12-14)22-3/h8-12H,5-7,20H2,1-4H3
InChIKeyFXPYNRCPVZVMSZ-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.48
Rot. Bonds8

About 2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline

2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline (PubChem CID 143974570) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline
PubChem CID143974570
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline
SMILESCCOc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C19H25NO4/c1-5-24-16-9-8-13(10-15(16)20)6-7-14-11-17(21-2)19(23-4)18(12-14)22-3/h8-12H,5-7,20H2,1-4H3
InChIKeyFXPYNRCPVZVMSZ-UHFFFAOYSA-N
XLogP3.48
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline?
The IUPAC name of 2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline (CID 143974570) is 2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline?
The canonical SMILES for 2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline is CCOc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1N.
What is the InChIKey of 2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline?
The InChIKey is FXPYNRCPVZVMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-5-24-16-9-8-13(10-15(16)20)6-7-14-11-17(21-2)19(23-4)18(12-14)22-3/h8-12H,5-7,20H2,1-4H3.
What are the key properties of 2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline?
2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline has a molecular weight of 331.41 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline is sourced from PubChem (CID 143974570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).