2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol

C13H19F3N2O2 — CID 107478314

IUPAC2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESCCCOc1cc(N)cc(N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O2/c1-2-5-20-12-7-10(17)6-11(8-12)18(3-4-19)9-13(14,15)16/h6-8,19H,2-5,9,17H2,1H3
InChIKeyOCJKIPHTPNNNFP-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.42
Rot. Bonds7

About 2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol

2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol (PubChem CID 107478314) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
PubChem CID107478314
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESCCCOc1cc(N)cc(N(CCO)CC(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O2/c1-2-5-20-12-7-10(17)6-11(8-12)18(3-4-19)9-13(14,15)16/h6-8,19H,2-5,9,17H2,1H3
InChIKeyOCJKIPHTPNNNFP-UHFFFAOYSA-N
XLogP2.42
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.42
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

2-(3-amino-N-ethyl-5-propoxyanilino)ethanol
CID 80731305
2-(3-amino-5-ethoxy-N-propylanilino)ethanol
CID 80730766
3-N,3-N-bis(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80730638
3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80722610
3-N-[3-(dimethylamino)propyl]-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 102991192
2-(3-amino-N-butyl-5-propoxyanilino)acetamide
CID 80739849
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
3-N-(2-methoxyethyl)-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80739720
2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol
CID 80730244
3-N-(3,3-dimethylbutan-2-yl)-3-N-methyl-5-propoxybenzene-1,3-diamine
CID 80739495
3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 107397232
3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine
CID 80722097

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The IUPAC name of 2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol (CID 107478314) is 2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol is CCCOc1cc(N)cc(N(CCO)CC(F)(F)F)c1.
What is the InChIKey of 2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The InChIKey is OCJKIPHTPNNNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-2-5-20-12-7-10(17)6-11(8-12)18(3-4-19)9-13(14,15)16/h6-8,19H,2-5,9,17H2,1H3.
What are the key properties of 2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol?
2-[3-amino-5-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol has a molecular weight of 292.30 g/mol, XLogP of 2.42, 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-propoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol is sourced from PubChem (CID 107478314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).