4-(2-cyclopropylethoxy)-2-ethoxyaniline

C13H19NO2 — CID 106199653

IUPAC4-(2-cyclopropylethoxy)-2-ethoxyaniline
SMILESCCOc1cc(OCCC2CC2)ccc1N
InChIInChI=1S/C13H19NO2/c1-2-15-13-9-11(5-6-12(13)14)16-8-7-10-3-4-10/h5-6,9-10H,2-4,7-8,14H2,1H3
InChIKeyHEAVFRXNOPQWBE-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.85
Rot. Bonds6

About 4-(2-cyclopropylethoxy)-2-ethoxyaniline

4-(2-cyclopropylethoxy)-2-ethoxyaniline (PubChem CID 106199653) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(2-cyclopropylethoxy)-2-ethoxyaniline.

Molecular Properties

Compound Name4-(2-cyclopropylethoxy)-2-ethoxyaniline
PubChem CID106199653
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-(2-cyclopropylethoxy)-2-ethoxyaniline
SMILESCCOc1cc(OCCC2CC2)ccc1N
InChIInChI=1S/C13H19NO2/c1-2-15-13-9-11(5-6-12(13)14)16-8-7-10-3-4-10/h5-6,9-10H,2-4,7-8,14H2,1H3
InChIKeyHEAVFRXNOPQWBE-UHFFFAOYSA-N
XLogP2.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-propoxyaniline
CID 63677806
4-(cyclopentylmethoxy)-2-ethoxyaniline
CID 66324490
2-(4-amino-3-ethoxyphenoxy)ethanol
CID 21422991
2-ethoxy-4-pentoxyaniline
CID 63678215
2-(2-cyclobutylethoxy)-4-methoxyaniline
CID 106199765
2-ethoxy-4-(oxan-4-ylmethoxy)aniline
CID 63678220
4-cyclobutyloxy-2-ethoxyaniline
CID 63677607
2-ethoxy-4-(3-methoxy-3-methylbutoxy)aniline
CID 106664929
2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
CID 113426736
2-(2-cyclopropylethylsulfanyl)-4-ethoxyaniline
CID 79527674
2-ethoxy-4-(oxetan-3-yloxy)aniline
CID 102605509
6-(2-cyclopropylethoxy)-2-ethoxypyridin-3-amine
CID 106199648

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethoxy)-2-ethoxyaniline?
The IUPAC name of 4-(2-cyclopropylethoxy)-2-ethoxyaniline (CID 106199653) is 4-(2-cyclopropylethoxy)-2-ethoxyaniline.
What is the SMILES notation for 4-(2-cyclopropylethoxy)-2-ethoxyaniline?
The canonical SMILES for 4-(2-cyclopropylethoxy)-2-ethoxyaniline is CCOc1cc(OCCC2CC2)ccc1N.
What is the InChIKey of 4-(2-cyclopropylethoxy)-2-ethoxyaniline?
The InChIKey is HEAVFRXNOPQWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-15-13-9-11(5-6-12(13)14)16-8-7-10-3-4-10/h5-6,9-10H,2-4,7-8,14H2,1H3.
What are the key properties of 4-(2-cyclopropylethoxy)-2-ethoxyaniline?
4-(2-cyclopropylethoxy)-2-ethoxyaniline has a molecular weight of 221.30 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethoxy)-2-ethoxyaniline is sourced from PubChem (CID 106199653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).