3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline

C15H25NO5 — CID 103409297

IUPAC3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline
SMILESCOCCOCCCNc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H25NO5/c1-17-8-9-21-7-5-6-16-12-10-13(18-2)15(20-4)14(11-12)19-3/h10-11,16H,5-9H2,1-4H3
InChIKeyWKAKWHRWUBYQBH-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.18
Rot. Bonds11

About 3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline

3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline (PubChem CID 103409297) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline
PubChem CID103409297
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline
SMILESCOCCOCCCNc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H25NO5/c1-17-8-9-21-7-5-6-16-12-10-13(18-2)15(20-4)14(11-12)19-3/h10-11,16H,5-9H2,1-4H3
InChIKeyWKAKWHRWUBYQBH-UHFFFAOYSA-N
XLogP2.18
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,4,5-trimethoxyanilino)propane-1-thiol
CID 115224657
N-hexyl-3,4,5-trimethoxyaniline
CID 28876878
2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline
CID 103409333
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
2-(3,4,5-trimethoxyanilino)ethanol
CID 28571961
3,4,5-trimethoxy-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451208
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409298
N-cyclopropyl-N'-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 115206789
2,2-dimethyl-5-(3,4,5-trimethoxyanilino)pentanenitrile
CID 65257056
1-N-[3-(2-methoxyethoxy)propyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 103409400
3,4,5-trimethoxy-N-[3-[4-[3-(3,4,5-trimethoxyanilino)propyl]-1,4-diazepan-1-yl]propyl]aniline
CID 15728776
3,4,5-trimethoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 116500691

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline?
The IUPAC name of 3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline (CID 103409297) is 3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline is COCCOCCCNc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline?
The InChIKey is WKAKWHRWUBYQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-17-8-9-21-7-5-6-16-12-10-13(18-2)15(20-4)14(11-12)19-3/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline?
3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline has a molecular weight of 299.37 g/mol, XLogP of 2.18, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-(2-methoxyethoxy)propyl]aniline is sourced from PubChem (CID 103409297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).