1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol

C23H24F3N3O2 — CID 14750934

IUPAC1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
SMILESOC(CNC1CCc2ccccc2C1)COc1cccc(-c2ncc(C(F)(F)F)[nH]2)c1
InChIInChI=1S/C23H24F3N3O2/c24-23(25,26)21-13-28-22(29-21)17-6-3-7-20(11-17)31-14-19(30)12-27-18-9-8-15-4-1-2-5-16(15)10-18/h1-7,11,13,18-19,27,30H,8-10,12,14H2,(H,28,29)
InChIKeyZRIIFGTXMGPLOH-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.98
Rot. Bonds7

About 1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol

1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol (PubChem CID 14750934) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
PubChem CID14750934
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
SMILESOC(CNC1CCc2ccccc2C1)COc1cccc(-c2ncc(C(F)(F)F)[nH]2)c1
InChIInChI=1S/C23H24F3N3O2/c24-23(25,26)21-13-28-22(29-21)17-6-3-7-20(11-17)31-14-19(30)12-27-18-9-8-15-4-1-2-5-16(15)10-18/h1-7,11,13,18-19,27,30H,8-10,12,14H2,(H,28,29)
InChIKeyZRIIFGTXMGPLOH-UHFFFAOYSA-N
XLogP3.98
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol (CID 14750934) is 1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol is OC(CNC1CCc2ccccc2C1)COc1cccc(-c2ncc(C(F)(F)F)[nH]2)c1.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
The InChIKey is ZRIIFGTXMGPLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c24-23(25,26)21-13-28-22(29-21)17-6-3-7-20(11-17)31-14-19(30)12-27-18-9-8-15-4-1-2-5-16(15)10-18/h1-7,11,13,18-19,27,30H,8-10,12,14H2,(H,28,29).
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol?
1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol has a molecular weight of 431.46 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 14750934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).