1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol

C24H31F2NO2 — CID 3314616

IUPAC1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol
SMILESCC1CCCC(NCC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1C
InChIInChI=1S/C24H31F2NO2/c1-16-4-3-5-23(17(16)2)27-14-22(28)15-29-24(18-6-10-20(25)11-7-18)19-8-12-21(26)13-9-19/h6-13,16-17,22-24,27-28H,3-5,14-15H2,1-2H3
InChIKeyZRHSCMXFOILLCB-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.85
Rot. Bonds8

About 1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol

1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol (PubChem CID 3314616) has the molecular formula C24H31F2NO2 and a molecular weight of 403.51 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol
PubChem CID3314616
Molecular FormulaC24H31F2NO2
Molecular Weight403.51 g/mol
Exact Mass403.23
IUPAC Name1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol
SMILESCC1CCCC(NCC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1C
InChIInChI=1S/C24H31F2NO2/c1-16-4-3-5-23(17(16)2)27-14-22(28)15-29-24(18-6-10-20(25)11-7-18)19-8-12-21(26)13-9-19/h6-13,16-17,22-24,27-28H,3-5,14-15H2,1-2H3
InChIKeyZRHSCMXFOILLCB-UHFFFAOYSA-N
XLogP4.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol (CID 3314616) is 1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol is CC1CCCC(NCC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1C.
What is the InChIKey of 1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol?
The InChIKey is ZRHSCMXFOILLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2NO2/c1-16-4-3-5-23(17(16)2)27-14-22(28)15-29-24(18-6-10-20(25)11-7-18)19-8-12-21(26)13-9-19/h6-13,16-17,22-24,27-28H,3-5,14-15H2,1-2H3.
What are the key properties of 1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol?
1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol has a molecular weight of 403.51 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methoxy]-3-[(2,3-dimethylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 3314616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).