1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol

C14H20F3NO — CID 63227305

IUPAC1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol
SMILESCC(C)c1ccc(C(O)CNCCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-10(2)11-3-5-12(6-4-11)13(19)9-18-8-7-14(15,16)17/h3-6,10,13,18-19H,7-9H2,1-2H3
InChIKeyWNTLDWWUCBVOKV-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.39
Rot. Bonds6

About 1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol

1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol (PubChem CID 63227305) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol
PubChem CID63227305
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol
SMILESCC(C)c1ccc(C(O)CNCCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-10(2)11-3-5-12(6-4-11)13(19)9-18-8-7-14(15,16)17/h3-6,10,13,18-19H,7-9H2,1-2H3
InChIKeyWNTLDWWUCBVOKV-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)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

1-phenyl-2-(3,3,3-trifluoropropylamino)ethanol
CID 60689484
2-(2-methylsulfanylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63964232
1-[4-(2-methylpropyl)phenyl]-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518399
2-(3-methylsulfanylpropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63967355
3-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-2,2-dimethylpropan-1-ol
CID 115359762
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid
CID 82312764
2-(2-methylsulfonylethylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 54934596
1-(4-methylsulfonylphenyl)-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518341
2-(2,3-dimethylbutylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 64569516
2-(3-ethoxypropylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901286
1-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-4-methylpentan-2-ol
CID 107152724
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64912479

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol?
The IUPAC name of 1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol (CID 63227305) is 1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol is CC(C)c1ccc(C(O)CNCCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol?
The InChIKey is WNTLDWWUCBVOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-10(2)11-3-5-12(6-4-11)13(19)9-18-8-7-14(15,16)17/h3-6,10,13,18-19H,7-9H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol?
1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol has a molecular weight of 275.31 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol is sourced from PubChem (CID 63227305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).