2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol

C13H18F3NO — CID 61045461

IUPAC2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCCc1ccc(C(C)(CO)NCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-3-10-4-6-11(7-5-10)12(2,9-18)17-8-13(14,15)16/h4-7,17-18H,3,8-9H2,1-2H3
InChIKeyVMNZFXFAQJRXEF-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.61
Rot. Bonds5

About 2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol

2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol (PubChem CID 61045461) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol
PubChem CID61045461
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCCc1ccc(C(C)(CO)NCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-3-10-4-6-11(7-5-10)12(2,9-18)17-8-13(14,15)16/h4-7,17-18H,3,8-9H2,1-2H3
InChIKeyVMNZFXFAQJRXEF-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol 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-(benzylamino)-2-(4-ethylphenyl)propan-1-ol
CID 61045809
2-(4-ethylphenyl)-2,2-difluoroethanol
CID 105425911
2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 61050325
2-amino-2-(4-ethylphenyl)propan-1-ol
CID 61054820
2-(ethylamino)-2-(4-methylphenyl)propan-1-ol
CID 61048119
1-tert-butyl-4-ethylbenzene
CID 157359507
3-(4-ethylphenyl)-2,2-dimethylpropan-1-ol
CID 21254615
1-ethyl-4-(2-fluorobutan-2-yl)benzene
CID 89336588
1-ethyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 22506294
1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene
CID 142025123
2-[(4-ethylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 103619237
3-(4-ethylphenyl)-3-methylbutan-1-ol
CID 79837245

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The IUPAC name of 2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol (CID 61045461) is 2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol.
What is the SMILES notation for 2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The canonical SMILES for 2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol is CCc1ccc(C(C)(CO)NCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The InChIKey is VMNZFXFAQJRXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-10-4-6-11(7-5-10)12(2,9-18)17-8-13(14,15)16/h4-7,17-18H,3,8-9H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol?
2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol has a molecular weight of 261.29 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-(2,2,2-trifluoroethylamino)propan-1-ol is sourced from PubChem (CID 61045461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).