3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol

C23H27F4NO2 — CID 67077455

IUPAC3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN(CC1CCCCC1)c1cccc(OCc2cccc(F)c2)c1)C(F)(F)F
InChIInChI=1S/C23H27F4NO2/c24-19-9-4-8-18(12-19)16-30-21-11-5-10-20(13-21)28(15-22(29)23(25,26)27)14-17-6-2-1-3-7-17/h4-5,8-13,17,22,29H,1-3,6-7,14-16H2
InChIKeyDQPDXOXUEBESSE-UHFFFAOYSA-N
MW425.47 g/mol
LogP5.71
Rot. Bonds8

About 3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol

3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol (PubChem CID 67077455) has the molecular formula C23H27F4NO2 and a molecular weight of 425.47 g/mol. Its IUPAC name is 3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol
PubChem CID67077455
Molecular FormulaC23H27F4NO2
Molecular Weight425.47 g/mol
Exact Mass425.20
IUPAC Name3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN(CC1CCCCC1)c1cccc(OCc2cccc(F)c2)c1)C(F)(F)F
InChIInChI=1S/C23H27F4NO2/c24-19-9-4-8-18(12-19)16-30-21-11-5-10-20(13-21)28(15-22(29)23(25,26)27)14-17-6-2-1-3-7-17/h4-5,8-13,17,22,29H,1-3,6-7,14-16H2
InChIKeyDQPDXOXUEBESSE-UHFFFAOYSA-N
XLogP5.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.47
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-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

3-[N-(cyclopropylmethyl)-3-[[3-(trifluoromethoxy)phenyl]methoxy]anilino]-1,1,1-trifluoropropan-2-ol
CID 10225784
3-[N-(1-cyclohexyl-2,2,3,3,3-pentafluoropropyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]anilino]-1,1,1-trifluoropropan-2-ol
CID 87873277
1,1,1-trifluoro-3-[N-[[1-(1,1,2,2,2-pentafluoroethyl)cyclohexyl]methyl]-3-[[3-(trifluoromethoxy)phenyl]methoxy]anilino]propan-2-ol
CID 22038585
3-(N-benzyl-3-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 10805120
(2R)-1,1,1-trifluoro-3-[N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethylsulfanyl)phenyl]methoxy]anilino]propan-2-ol
CID 54531722
1,1,1-trifluoro-3-[3-[(3-methylphenyl)methoxy]-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol
CID 89357744
1,1,1-trifluoro-3-[N-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-3-[[3-(trifluoromethoxy)phenyl]methoxy]anilino]propan-2-ol
CID 10167660
3-[3-(4-chloro-3-ethylphenoxy)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
CID 10142919
1,1,1-trifluoro-3-[3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]propan-2-ol
CID 10763332
(1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine
CID 66512164
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171

Frequently Asked Questions

What is the IUPAC name of 3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol (CID 67077455) is 3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol is OC(CN(CC1CCCCC1)c1cccc(OCc2cccc(F)c2)c1)C(F)(F)F.
What is the InChIKey of 3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is DQPDXOXUEBESSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F4NO2/c24-19-9-4-8-18(12-19)16-30-21-11-5-10-20(13-21)28(15-22(29)23(25,26)27)14-17-6-2-1-3-7-17/h4-5,8-13,17,22,29H,1-3,6-7,14-16H2.
What are the key properties of 3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol?
3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 425.47 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(cyclohexylmethyl)-3-[(3-fluorophenyl)methoxy]anilino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 67077455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).