1-[bis(4-fluorophenyl)methoxy]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol

C26H27F2NO2 — CID 3337490

IUPAC1-[bis(4-fluorophenyl)methoxy]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
SMILESOC(CNC1CCCc2ccccc21)COC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H27F2NO2/c27-21-12-8-19(9-13-21)26(20-10-14-22(28)15-11-20)31-17-23(30)16-29-25-7-3-5-18-4-1-2-6-24(18)25/h1-2,4,6,8-15,23,25-26,29-30H,3,5,7,16-17H2
InChIKeyWMPTWWRNUHTWJI-UHFFFAOYSA-N
MW423.50 g/mol
LogP5.10
Rot. Bonds8

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

1-[bis(4-fluorophenyl)methoxy]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol (PubChem CID 3337490) has the molecular formula C26H27F2NO2 and a molecular weight of 423.50 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methoxy]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methoxy]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
PubChem CID3337490
Molecular FormulaC26H27F2NO2
Molecular Weight423.50 g/mol
Exact Mass423.20
IUPAC Name1-[bis(4-fluorophenyl)methoxy]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
SMILESOC(CNC1CCCc2ccccc21)COC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H27F2NO2/c27-21-12-8-19(9-13-21)26(20-10-14-22(28)15-11-20)31-17-23(30)16-29-25-7-3-5-18-4-1-2-6-24(18)25/h1-2,4,6,8-15,23,25-26,29-30H,3,5,7,16-17H2
InChIKeyWMPTWWRNUHTWJI-UHFFFAOYSA-N
XLogP5.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.50
LogP ≤ 55.10
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-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol?
The IUPAC name of 1-[bis(4-fluorophenyl)methoxy]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol (CID 3337490) is 1-[bis(4-fluorophenyl)methoxy]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methoxy]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol?
The canonical SMILES for 1-[bis(4-fluorophenyl)methoxy]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol is OC(CNC1CCCc2ccccc21)COC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methoxy]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol?
The InChIKey is WMPTWWRNUHTWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2NO2/c27-21-12-8-19(9-13-21)26(20-10-14-22(28)15-11-20)31-17-23(30)16-29-25-7-3-5-18-4-1-2-6-24(18)25/h1-2,4,6,8-15,23,25-26,29-30H,3,5,7,16-17H2.
What are the key properties of 1-[bis(4-fluorophenyl)methoxy]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol?
1-[bis(4-fluorophenyl)methoxy]-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol has a molecular weight of 423.50 g/mol, XLogP of 5.10, 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-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol is sourced from PubChem (CID 3337490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).