3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline

C13H21NO2 — CID 153398401

IUPAC3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline
SMILESCCOCCOCCc1cccc(NC)c1
InChIInChI=1S/C13H21NO2/c1-3-15-9-10-16-8-7-12-5-4-6-13(11-12)14-2/h4-6,11,14H,3,7-10H2,1-2H3
InChIKeyBJKNBJPIQPKLEX-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.32
Rot. Bonds8

About 3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline

3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline (PubChem CID 153398401) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline.

Molecular Properties

Compound Name3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline
PubChem CID153398401
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline
SMILESCCOCCOCCc1cccc(NC)c1
InChIInChI=1S/C13H21NO2/c1-3-15-9-10-16-8-7-12-5-4-6-13(11-12)14-2/h4-6,11,14H,3,7-10H2,1-2H3
InChIKeyBJKNBJPIQPKLEX-UHFFFAOYSA-N
XLogP2.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.32
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

3-(2-ethoxyethyl)-N,N-dimethylaniline
CID 142585590
1-ethoxy-3-(2-ethoxyethyl)benzene
CID 11644076
N-methyl-3-(methylperoxymethyl)aniline
CID 20699956
3-(methoxymethyl)-N-methylaniline
CID 23080905
methyl 3-[3-(methylamino)phenyl]propanoate
CID 119082922
3-(bromomethyl)-N-methylaniline
CID 147410245
O-[[3-(methylamino)phenyl]methyl]hydroxylamine
CID 143975046
N-ethyl-3-(2-methoxyethyl)aniline
CID 151111867
N-[2-(2-ethoxyethoxy)ethyl]-3-methylaniline
CID 23009144
N-(3-ethoxypropyl)-3-(methoxymethyl)aniline
CID 65175337
3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline
CID 58828283
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline?
The IUPAC name of 3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline (CID 153398401) is 3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline.
What is the SMILES notation for 3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline?
The canonical SMILES for 3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline is CCOCCOCCc1cccc(NC)c1.
What is the InChIKey of 3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline?
The InChIKey is BJKNBJPIQPKLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-15-9-10-16-8-7-12-5-4-6-13(11-12)14-2/h4-6,11,14H,3,7-10H2,1-2H3.
What are the key properties of 3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline?
3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline has a molecular weight of 223.32 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyethoxy)ethyl]-N-methylaniline is sourced from PubChem (CID 153398401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).