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

C20H23F3N2O2 — CID 145415484

IUPAC[4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol
SMILESOCc1ccc(OCCN2CCC(Nc3ccccc3C(F)(F)F)C2)cc1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)18-3-1-2-4-19(18)24-16-9-10-25(13-16)11-12-27-17-7-5-15(14-26)6-8-17/h1-8,16,24,26H,9-14H2
InChIKeyDUAHDAKHSGMPPK-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.76
Rot. Bonds7

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

[4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol (PubChem CID 145415484) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is [4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol
PubChem CID145415484
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name[4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol
SMILESOCc1ccc(OCCN2CCC(Nc3ccccc3C(F)(F)F)C2)cc1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)18-3-1-2-4-19(18)24-16-9-10-25(13-16)11-12-27-17-7-5-15(14-26)6-8-17/h1-8,16,24,26H,9-14H2
InChIKeyDUAHDAKHSGMPPK-UHFFFAOYSA-N
XLogP3.76
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[2-[3-[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

ethanamine;2-[4-(hydroxymethyl)phenoxy]-1-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethanone
CID 145415295
[4-[2-[3-[N-(2-methylpropyl)-2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol
CID 145415480
[4-[2-[3-(3-methoxyanilino)pyrrolidin-1-yl]ethoxy]phenyl]methanol
CID 145415538
1-[2-[4-(hydroxymethyl)phenoxy]ethyl]pyrrolidin-3-ol;trifluoromethoxybenzene
CID 145415282
[4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol
CID 145415565
1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51093545
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]methanol
CID 110009486
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol
CID 110910733
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
2-(difluoromethyl)phenol;[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 145415542
(3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine
CID 178065004

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol?
The IUPAC name of [4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol (CID 145415484) is [4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol.
What is the SMILES notation for [4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol?
The canonical SMILES for [4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol is OCc1ccc(OCCN2CCC(Nc3ccccc3C(F)(F)F)C2)cc1.
What is the InChIKey of [4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol?
The InChIKey is DUAHDAKHSGMPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c21-20(22,23)18-3-1-2-4-19(18)24-16-9-10-25(13-16)11-12-27-17-7-5-15(14-26)6-8-17/h1-8,16,24,26H,9-14H2.
What are the key properties of [4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol?
[4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol has a molecular weight of 380.41 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3-[2-(trifluoromethyl)anilino]pyrrolidin-1-yl]ethoxy]phenyl]methanol is sourced from PubChem (CID 145415484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).