(2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol

C22H22F3NO2 — CID 2478160

IUPAC(2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
SMILESO[C@H](CNCCc1ccc(C(F)(F)F)cc1)COc1ccc2ccccc2c1
InChIInChI=1S/C22H22F3NO2/c23-22(24,25)19-8-5-16(6-9-19)11-12-26-14-20(27)15-28-21-10-7-17-3-1-2-4-18(17)13-21/h1-10,13,20,26-27H,11-12,14-15H2/t20-/m1/s1
InChIKeyZVBOWQHDIGYEQB-HXUWFJFHSA-N
MW389.42 g/mol
LogP4.43
Rot. Bonds8

About (2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol

(2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol (PubChem CID 2478160) has the molecular formula C22H22F3NO2 and a molecular weight of 389.42 g/mol. Its IUPAC name is (2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
PubChem CID2478160
Molecular FormulaC22H22F3NO2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name(2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
SMILESO[C@H](CNCCc1ccc(C(F)(F)F)cc1)COc1ccc2ccccc2c1
InChIInChI=1S/C22H22F3NO2/c23-22(24,25)19-8-5-16(6-9-19)11-12-26-14-20(27)15-28-21-10-7-17-3-1-2-4-18(17)13-21/h1-10,13,20,26-27H,11-12,14-15H2/t20-/m1/s1
InChIKeyZVBOWQHDIGYEQB-HXUWFJFHSA-N
XLogP4.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
(2S)-1-benzhydryloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
CID 2116069
5-[4-[2-[(2-hydroxy-3-naphthalen-2-yloxypropyl)amino]ethyl]anilino]-1,3-thiazolidine-2,4-dione
CID 10297712
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
4-(2-phenylethylamino)-1-[3-(trifluoromethyl)phenoxy]butan-2-ol
CID 13120386
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenoxy]acetic acid
CID 15714008
1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 43166208
1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2769824
1-[2-(2-tert-butyl-1-benzofuran-6-yl)ethylamino]-3-phenoxypropan-2-ol
CID 18683397
1-[2-[4-[diphenyl(phosphoroso)methoxy]phenyl]ethylamino]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 67702307

Frequently Asked Questions

What is the IUPAC name of (2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol (CID 2478160) is (2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol is O[C@H](CNCCc1ccc(C(F)(F)F)cc1)COc1ccc2ccccc2c1.
What is the InChIKey of (2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol?
The InChIKey is ZVBOWQHDIGYEQB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22F3NO2/c23-22(24,25)19-8-5-16(6-9-19)11-12-26-14-20(27)15-28-21-10-7-17-3-1-2-4-18(17)13-21/h1-10,13,20,26-27H,11-12,14-15H2/t20-/m1/s1.
What are the key properties of (2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol?
(2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol has a molecular weight of 389.42 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-naphthalen-2-yloxy-3-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-ol is sourced from PubChem (CID 2478160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).