[4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol

C18H20F3NO2 — CID 110009803

IUPAC[4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol
SMILESCC(NCc1ccc(CO)cc1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H20F3NO2/c1-13(22-10-14-2-4-15(11-23)5-3-14)16-6-8-17(9-7-16)24-12-18(19,20)21/h2-9,13,22-23H,10-12H2,1H3
InChIKeyTVRJZDSJACLAKY-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.97
Rot. Bonds7

About [4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol

[4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol (PubChem CID 110009803) has the molecular formula C18H20F3NO2 and a molecular weight of 339.36 g/mol. Its IUPAC name is [4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol
PubChem CID110009803
Molecular FormulaC18H20F3NO2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name[4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol
SMILESCC(NCc1ccc(CO)cc1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H20F3NO2/c1-13(22-10-14-2-4-15(11-23)5-3-14)16-6-8-17(9-7-16)24-12-18(19,20)21/h2-9,13,22-23H,10-12H2,1H3
InChIKeyTVRJZDSJACLAKY-UHFFFAOYSA-N
XLogP3.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol 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

N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide
CID 52502800
[4-[[4-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol
CID 110006461
2-[(1R)-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]-6-(trifluoromethyl)phenol
CID 100619156
4-[1-[[4-(hydroxymethyl)phenyl]methylamino]ethyl]benzonitrile
CID 110009797
[4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol
CID 107230241
1-[1-(4-bromophenyl)ethyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 112808744
3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol
CID 111422011
[4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol
CID 110009844
(1S)-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28564761
(1S)-1-(4-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 28623629
4-[[1-(4-propoxyphenyl)ethylamino]methyl]benzoic acid
CID 122030771
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372

Frequently Asked Questions

What is the IUPAC name of [4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol (CID 110009803) is [4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol is CC(NCc1ccc(CO)cc1)c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of [4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol?
The InChIKey is TVRJZDSJACLAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO2/c1-13(22-10-14-2-4-15(11-23)5-3-14)16-6-8-17(9-7-16)24-12-18(19,20)21/h2-9,13,22-23H,10-12H2,1H3.
What are the key properties of [4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol?
[4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol has a molecular weight of 339.36 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 110009803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).