4-[1-(2-propoxyethoxy)ethyl]aniline

C13H21NO2 — CID 63687066

IUPAC4-[1-(2-propoxyethoxy)ethyl]aniline
SMILESCCCOCCOC(C)c1ccc(N)cc1
InChIInChI=1S/C13H21NO2/c1-3-8-15-9-10-16-11(2)12-4-6-13(14)7-5-12/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyIQNNQNHDQCJSDL-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.77
Rot. Bonds7

About 4-[1-(2-propoxyethoxy)ethyl]aniline

4-[1-(2-propoxyethoxy)ethyl]aniline (PubChem CID 63687066) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[1-(2-propoxyethoxy)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(2-propoxyethoxy)ethyl]aniline
PubChem CID63687066
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[1-(2-propoxyethoxy)ethyl]aniline
SMILESCCCOCCOC(C)c1ccc(N)cc1
InChIInChI=1S/C13H21NO2/c1-3-8-15-9-10-16-11(2)12-4-6-13(14)7-5-12/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyIQNNQNHDQCJSDL-UHFFFAOYSA-N
XLogP2.77
TPSA44.48 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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-heptoxyethyl)aniline
CID 61263162
4-[1-(4,4,4-trifluorobutoxy)ethyl]aniline
CID 82789714
(2S)-2-amino-2-[4-[(1S)-1-propoxyethyl]phenyl]ethanol
CID 124500482
(2S)-2-amino-2-[4-[(1R)-1-propoxyethyl]phenyl]ethanol
CID 124500483
1-phenyl-4-(1-propoxyethyl)benzene
CID 56976373
4-[1-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61263886
4-[4-(1-propoxyethyl)phenyl]phenol
CID 14533191
N-[1-(4-aminophenyl)ethyl]-2-propoxyacetamide
CID 107937356
1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
CID 130291288
2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347
1-(4-methylphenyl)-1-(2-propoxyethoxy)butan-2-amine
CID 55233645
1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene
CID 139694252

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-propoxyethoxy)ethyl]aniline?
The IUPAC name of 4-[1-(2-propoxyethoxy)ethyl]aniline (CID 63687066) is 4-[1-(2-propoxyethoxy)ethyl]aniline.
What is the SMILES notation for 4-[1-(2-propoxyethoxy)ethyl]aniline?
The canonical SMILES for 4-[1-(2-propoxyethoxy)ethyl]aniline is CCCOCCOC(C)c1ccc(N)cc1.
What is the InChIKey of 4-[1-(2-propoxyethoxy)ethyl]aniline?
The InChIKey is IQNNQNHDQCJSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-8-15-9-10-16-11(2)12-4-6-13(14)7-5-12/h4-7,11H,3,8-10,14H2,1-2H3.
What are the key properties of 4-[1-(2-propoxyethoxy)ethyl]aniline?
4-[1-(2-propoxyethoxy)ethyl]aniline has a molecular weight of 223.32 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-propoxyethoxy)ethyl]aniline is sourced from PubChem (CID 63687066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).