2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol

C14H20F3NO2 — CID 60969600

IUPAC2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCOCCCCNCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO2/c1-20-9-3-2-8-18-10-13(19)11-4-6-12(7-5-11)14(15,16)17/h4-7,13,18-19H,2-3,8-10H2,1H3
InChIKeyHHCKNKCQOKGSDL-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.76
Rot. Bonds8

About 2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol

2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 60969600) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID60969600
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCOCCCCNCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO2/c1-20-9-3-2-8-18-10-13(19)11-4-6-12(7-5-11)14(15,16)17/h4-7,13,18-19H,2-3,8-10H2,1H3
InChIKeyHHCKNKCQOKGSDL-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'}

Analyze 2-(4-methoxybutylamino)-1-[4-(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

4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 65091791
2-(4-methoxybutylamino)-1-naphthalen-2-ylethanol
CID 60969599
2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol
CID 82314072
N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide
CID 60909343
1-(1,3-benzodioxol-5-yl)-2-(4-methoxybutylamino)ethanol
CID 60970196
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
4-[1-hydroxy-2-(6-methoxyhexylamino)ethyl]-2-(hydroxymethyl)phenol
CID 20739121
2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60901206
2-(3-methoxypropylamino)-1-naphthalen-2-ylethanol
CID 60900061
(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 46893460
2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620
1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol
CID 60969452

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 60969600) is 2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol is COCCCCNCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is HHCKNKCQOKGSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-20-9-3-2-8-18-10-13(19)11-4-6-12(7-5-11)14(15,16)17/h4-7,13,18-19H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(4-methoxybutylamino)-1-[4-(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-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 60969600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).