2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline

C15H25NO5 — CID 104561339

IUPAC2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
SMILESCOCCOCCOCCNc1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO5/c1-17-8-9-21-11-10-20-7-6-16-14-5-4-13(18-2)12-15(14)19-3/h4-5,12,16H,6-11H2,1-3H3
InChIKeyLYRPSRFLPQZLOU-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.80
Rot. Bonds12

About 2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline

2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline (PubChem CID 104561339) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline.

Molecular Properties

Compound Name2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
PubChem CID104561339
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
SMILESCOCCOCCOCCNc1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO5/c1-17-8-9-21-11-10-20-7-6-16-14-5-4-13(18-2)12-15(14)19-3/h4-5,12,16H,6-11H2,1-3H3
InChIKeyLYRPSRFLPQZLOU-UHFFFAOYSA-N
XLogP1.80
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.80
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

N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxyaniline
CID 60680640
2,4-dimethoxy-N-pentylaniline
CID 28570496
5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2-nitroaniline
CID 79034025
N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82084110
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
2,4-dimethoxy-N-pent-4-ynylaniline
CID 115871890
N-[4-methoxy-2-(2-methoxyethylamino)phenyl]hydroxylamine
CID 130391172
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline
CID 112752565
N-(2-ethoxyethyl)-4-methoxy-2-methylaniline
CID 62872971
4-(2,4-dimethoxyanilino)-2,2-dimethylbutanenitrile
CID 65247502

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The IUPAC name of 2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline (CID 104561339) is 2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline.
What is the SMILES notation for 2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The canonical SMILES for 2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline is COCCOCCOCCNc1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
The InChIKey is LYRPSRFLPQZLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-17-8-9-21-11-10-20-7-6-16-14-5-4-13(18-2)12-15(14)19-3/h4-5,12,16H,6-11H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline?
2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline has a molecular weight of 299.37 g/mol, XLogP of 1.80, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline is sourced from PubChem (CID 104561339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).