2-ethoxy-N-(3-methoxypropyl)-5-methylaniline

C13H21NO2 — CID 83961689

IUPAC2-ethoxy-N-(3-methoxypropyl)-5-methylaniline
SMILESCCOc1ccc(C)cc1NCCCOC
InChIInChI=1S/C13H21NO2/c1-4-16-13-7-6-11(2)10-12(13)14-8-5-9-15-3/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyDJCZRGDXBZVSAZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.84
Rot. Bonds7

About 2-ethoxy-N-(3-methoxypropyl)-5-methylaniline

2-ethoxy-N-(3-methoxypropyl)-5-methylaniline (PubChem CID 83961689) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethoxy-N-(3-methoxypropyl)-5-methylaniline.

Molecular Properties

Compound Name2-ethoxy-N-(3-methoxypropyl)-5-methylaniline
PubChem CID83961689
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-ethoxy-N-(3-methoxypropyl)-5-methylaniline
SMILESCCOc1ccc(C)cc1NCCCOC
InChIInChI=1S/C13H21NO2/c1-4-16-13-7-6-11(2)10-12(13)14-8-5-9-15-3/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKeyDJCZRGDXBZVSAZ-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-5-methyl-N-(3-phenylpropyl)aniline
CID 83961718
2-methoxy-N-[3-(2-methoxyethoxy)propyl]-5-methylaniline
CID 103409333
N'-(5-methyl-2-propoxyphenyl)propane-1,3-diamine
CID 83961727
ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline
CID 143562507
2-methoxy-5-methyl-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096579
2-(5-methyl-2-propoxyanilino)ethanethiol
CID 83961741
N-hexyl-2-(2-methoxyethoxy)-4-methylaniline
CID 54865095
2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline
CID 107634679
N-(2-ethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47882363
2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82096578
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methoxypropan-1-amine
CID 17209453
2-bromo-N-(3-ethoxypropyl)-5-methylaniline
CID 82757543

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-methoxypropyl)-5-methylaniline?
The IUPAC name of 2-ethoxy-N-(3-methoxypropyl)-5-methylaniline (CID 83961689) is 2-ethoxy-N-(3-methoxypropyl)-5-methylaniline.
What is the SMILES notation for 2-ethoxy-N-(3-methoxypropyl)-5-methylaniline?
The canonical SMILES for 2-ethoxy-N-(3-methoxypropyl)-5-methylaniline is CCOc1ccc(C)cc1NCCCOC.
What is the InChIKey of 2-ethoxy-N-(3-methoxypropyl)-5-methylaniline?
The InChIKey is DJCZRGDXBZVSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-16-13-7-6-11(2)10-12(13)14-8-5-9-15-3/h6-7,10,14H,4-5,8-9H2,1-3H3.
What are the key properties of 2-ethoxy-N-(3-methoxypropyl)-5-methylaniline?
2-ethoxy-N-(3-methoxypropyl)-5-methylaniline has a molecular weight of 223.32 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-methoxypropyl)-5-methylaniline is sourced from PubChem (CID 83961689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).