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

C15H22F3NO2 — CID 61171276

IUPAC2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCCCCOCCNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO2/c1-2-3-8-21-9-7-19-11-14(20)12-5-4-6-13(10-12)15(16,17)18/h4-6,10,14,19-20H,2-3,7-9,11H2,1H3
InChIKeyYCDHKJNOHNOPJT-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.15
Rot. Bonds9

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

2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 61171276) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID61171276
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCCCCOCCNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO2/c1-2-3-8-21-9-7-19-11-14(20)12-5-4-6-13(10-12)15(16,17)18/h4-6,10,14,19-20H,2-3,7-9,11H2,1H3
InChIKeyYCDHKJNOHNOPJT-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60901091
2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 106309771
1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol
CID 115578408
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
1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
CID 78966774
2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol
CID 61171635
2-(pent-4-ynylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 106221281
2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60980974
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-propoxyacetamide
CID 111108654
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60897467

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 61171276) is 2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is CCCCOCCNCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is YCDHKJNOHNOPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-2-3-8-21-9-7-19-11-14(20)12-5-4-6-13(10-12)15(16,17)18/h4-6,10,14,19-20H,2-3,7-9,11H2,1H3.
What are the key properties of 2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 305.34 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 61171276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).