2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

C14H20F3NO3 — CID 106309771

IUPAC2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOCCOCCCNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)12-4-1-3-11(9-12)13(20)10-18-5-2-7-21-8-6-19/h1,3-4,9,13,18-20H,2,5-8,10H2
InChIKeyAUXZGRQEHHTAQI-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.73
Rot. Bonds9

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

2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 106309771) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID106309771
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOCCOCCCNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO3/c15-14(16,17)12-4-1-3-11(9-12)13(20)10-18-5-2-7-21-8-6-19/h1,3-4,9,13,18-20H,2,5-8,10H2
InChIKeyAUXZGRQEHHTAQI-UHFFFAOYSA-N
XLogP1.73
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60901091
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
1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
CID 60733991
(2R)-2-[4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethoxy]phenyl]propanoic acid
CID 67790270
1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol
CID 115578408
2-[(4-bromothiophen-2-yl)methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60969473
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol
CID 2977000
2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60897467
1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
CID 78966774

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 106309771) is 2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is OCCOCCCNCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is AUXZGRQEHHTAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c15-14(16,17)12-4-1-3-11(9-12)13(20)10-18-5-2-7-21-8-6-19/h1,3-4,9,13,18-20H,2,5-8,10H2.
What are the key properties of 2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 307.31 g/mol, XLogP of 1.73, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 106309771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).