2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

C14H20F3NO2 — CID 60901091

IUPAC2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCCOCCCNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO2/c1-2-20-8-4-7-18-10-13(19)11-5-3-6-12(9-11)14(15,16)17/h3,5-6,9,13,18-19H,2,4,7-8,10H2,1H3
InChIKeyAETHQAZRTZIZPJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.76
Rot. Bonds8

About 2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 60901091) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID60901091
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCCOCCCNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO2/c1-2-20-8-4-7-18-10-13(19)11-5-3-6-12(9-11)14(15,16)17/h3,5-6,9,13,18-19H,2,4,7-8,10H2,1H3
InChIKeyAETHQAZRTZIZPJ-UHFFFAOYSA-N
XLogP2.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 106309771
2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 61171276
2-(pent-4-ynylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 106221281
1-[3-(trifluoromethyl)phenyl]-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
CID 106429233
(2R)-2-[4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethoxy]phenyl]propanoic acid
CID 67790270
4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141419
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901286
4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141501
1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol
CID 115578408
2-[(3-ethoxycyclobutyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103917723
2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 60901091) is 2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is CCOCCCNCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is AETHQAZRTZIZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-2-20-8-4-7-18-10-13(19)11-5-3-6-12(9-11)14(15,16)17/h3,5-6,9,13,18-19H,2,4,7-8,10H2,1H3.
What are the key properties of 2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 291.31 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 60901091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).