2-(3-amino-5-ethoxy-N-propylanilino)ethanol

C13H22N2O2 — CID 80730766

IUPAC2-(3-amino-5-ethoxy-N-propylanilino)ethanol
SMILESCCCN(CCO)c1cc(N)cc(OCC)c1
InChIInChI=1S/C13H22N2O2/c1-3-5-15(6-7-16)12-8-11(14)9-13(10-12)17-4-2/h8-10,16H,3-7,14H2,1-2H3
InChIKeyKGJNAHBACXXNQY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.88
Rot. Bonds7

About 2-(3-amino-5-ethoxy-N-propylanilino)ethanol

2-(3-amino-5-ethoxy-N-propylanilino)ethanol (PubChem CID 80730766) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(3-amino-5-ethoxy-N-propylanilino)ethanol.

Molecular Properties

Compound Name2-(3-amino-5-ethoxy-N-propylanilino)ethanol
PubChem CID80730766
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(3-amino-5-ethoxy-N-propylanilino)ethanol
SMILESCCCN(CCO)c1cc(N)cc(OCC)c1
InChIInChI=1S/C13H22N2O2/c1-3-5-15(6-7-16)12-8-11(14)9-13(10-12)17-4-2/h8-10,16H,3-7,14H2,1-2H3
InChIKeyKGJNAHBACXXNQY-UHFFFAOYSA-N
XLogP1.88
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine
CID 80722097
2-(3-amino-N-ethyl-5-propoxyanilino)ethanol
CID 80731305
2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478314
2-(3-amino-N-butyl-5-ethoxyanilino)acetamide
CID 80738963
5-ethoxy-3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 80728549
3-N-cyclopropyl-5-ethoxy-3-N-propylbenzene-1,3-diamine
CID 80722157
2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol
CID 80730244
5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine
CID 80722151
3,5-diethoxyaniline
CID 22605063
2-[3-amino-N-(2-hydroxyethyl)-5-methylanilino]ethanol
CID 112647279
3-[3-amino-5-ethoxy-N-(2-methoxyethyl)anilino]propanenitrile
CID 80734657
2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol
CID 22026558

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-ethoxy-N-propylanilino)ethanol?
The IUPAC name of 2-(3-amino-5-ethoxy-N-propylanilino)ethanol (CID 80730766) is 2-(3-amino-5-ethoxy-N-propylanilino)ethanol.
What is the SMILES notation for 2-(3-amino-5-ethoxy-N-propylanilino)ethanol?
The canonical SMILES for 2-(3-amino-5-ethoxy-N-propylanilino)ethanol is CCCN(CCO)c1cc(N)cc(OCC)c1.
What is the InChIKey of 2-(3-amino-5-ethoxy-N-propylanilino)ethanol?
The InChIKey is KGJNAHBACXXNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-5-15(6-7-16)12-8-11(14)9-13(10-12)17-4-2/h8-10,16H,3-7,14H2,1-2H3.
What are the key properties of 2-(3-amino-5-ethoxy-N-propylanilino)ethanol?
2-(3-amino-5-ethoxy-N-propylanilino)ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-ethoxy-N-propylanilino)ethanol is sourced from PubChem (CID 80730766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).