2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol

C13H22N2O2 — CID 80730244

IUPAC2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol
SMILESCCN(CCO)c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-4-15(5-6-16)12-7-11(14)8-13(9-12)17-10(2)3/h7-10,16H,4-6,14H2,1-3H3
InChIKeyITPRTPCHFDQAMM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.87
Rot. Bonds6

About 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol

2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol (PubChem CID 80730244) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol.

Molecular Properties

Compound Name2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol
PubChem CID80730244
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol
SMILESCCN(CCO)c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-4-15(5-6-16)12-7-11(14)8-13(9-12)17-10(2)3/h7-10,16H,4-6,14H2,1-3H3
InChIKeyITPRTPCHFDQAMM-UHFFFAOYSA-N
XLogP1.87
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.87
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-(dimethylamino)propyl]-3-N-ethyl-5-propan-2-yloxybenzene-1,3-diamine
CID 102991115
3-N-ethyl-3-N-(2-ethylbutyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80731502
1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol
CID 80734941
2-(3-amino-N-ethyl-5-propoxyanilino)ethanol
CID 80731305
2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-N-methylacetamide
CID 80730536
3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80730138
2-(3-amino-5-ethoxy-N-propylanilino)ethanol
CID 80730766
2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide
CID 80739194
3-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]propanenitrile
CID 80738390
3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80731070
3-N-cyclopropyl-5-propan-2-yloxy-3-N-propylbenzene-1,3-diamine
CID 80722008
2-(3-amino-N-methyl-5-propan-2-yloxyanilino)-N-ethylacetamide
CID 80740226

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol?
The IUPAC name of 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol (CID 80730244) is 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol.
What is the SMILES notation for 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol?
The canonical SMILES for 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol is CCN(CCO)c1cc(N)cc(OC(C)C)c1.
What is the InChIKey of 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol?
The InChIKey is ITPRTPCHFDQAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-15(5-6-16)12-7-11(14)8-13(9-12)17-10(2)3/h7-10,16H,4-6,14H2,1-3H3.
What are the key properties of 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol?
2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol is sourced from PubChem (CID 80730244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).