[4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol

C24H31F3N2O2 — CID 145415480

IUPAC[4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol
SMILESCC(C)CN(c1ccccc1C(F)(F)F)C1CCN(CCOc2ccc(CO)cc2)C1
InChIInChI=1S/C24H31F3N2O2/c1-18(2)15-29(23-6-4-3-5-22(23)24(25,26)27)20-11-12-28(16-20)13-14-31-21-9-7-19(17-30)8-10-21/h3-10,18,20,30H,11-17H2,1-2H3
InChIKeyLHDBKYSABYOEHN-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.81
Rot. Bonds9

About [4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol

[4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol (PubChem CID 145415480) has the molecular formula C24H31F3N2O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is [4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol
PubChem CID145415480
Molecular FormulaC24H31F3N2O2
Molecular Weight436.52 g/mol
Exact Mass436.23
IUPAC Name[4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol
SMILESCC(C)CN(c1ccccc1C(F)(F)F)C1CCN(CCOc2ccc(CO)cc2)C1
InChIInChI=1S/C24H31F3N2O2/c1-18(2)15-29(23-6-4-3-5-22(23)24(25,26)27)20-11-12-28(16-20)13-14-31-21-9-7-19(17-30)8-10-21/h3-10,18,20,30H,11-17H2,1-2H3
InChIKeyLHDBKYSABYOEHN-UHFFFAOYSA-N
XLogP4.81
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]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

[4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol
CID 145415484
1-[2-[4-(hydroxymethyl)phenoxy]ethyl]pyrrolidin-3-ol;trifluoromethoxybenzene
CID 145415282
ethane;2-[4-(hydroxymethyl)phenoxy]-1-[3-[N-methyl-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone
CID 145415413
[4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol
CID 145415565
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167098
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166233
1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol
CID 111510943
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 145415542
(3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine
CID 178065004
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
[4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol
CID 145415538

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol?
The IUPAC name of [4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol (CID 145415480) is [4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol.
What is the SMILES notation for [4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol?
The canonical SMILES for [4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol is CC(C)CN(c1ccccc1C(F)(F)F)C1CCN(CCOc2ccc(CO)cc2)C1.
What is the InChIKey of [4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol?
The InChIKey is LHDBKYSABYOEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N2O2/c1-18(2)15-29(23-6-4-3-5-22(23)24(25,26)27)20-11-12-28(16-20)13-14-31-21-9-7-19(17-30)8-10-21/h3-10,18,20,30H,11-17H2,1-2H3.
What are the key properties of [4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol?
[4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol has a molecular weight of 436.52 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol is sourced from PubChem (CID 145415480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).