(2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol

C27H24F3NO — CID 102011297

IUPAC(2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
SMILESO[C@@H]([C@H](c1cccc2ccccc12)N(Cc1ccccc1)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C27H24F3NO/c28-27(29,30)26(32)25(24-17-9-15-22-14-7-8-16-23(22)24)31(18-20-10-3-1-4-11-20)19-21-12-5-2-6-13-21/h1-17,25-26,32H,18-19H2/t25-,26-/m0/s1
InChIKeyRJPKWFGSULMASC-UIOOFZCWSA-N
MW435.49 g/mol
LogP6.51
Rot. Bonds7

About (2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol

(2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol (PubChem CID 102011297) has the molecular formula C27H24F3NO and a molecular weight of 435.49 g/mol. Its IUPAC name is (2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
PubChem CID102011297
Molecular FormulaC27H24F3NO
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC Name(2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
SMILESO[C@@H]([C@H](c1cccc2ccccc12)N(Cc1ccccc1)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C27H24F3NO/c28-27(29,30)26(32)25(24-17-9-15-22-14-7-8-16-23(22)24)31(18-20-10-3-1-4-11-20)19-21-12-5-2-6-13-21/h1-17,25-26,32H,18-19H2/t25-,26-/m0/s1
InChIKeyRJPKWFGSULMASC-UIOOFZCWSA-N
XLogP6.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Naphthyl)-3-(4-phenyl-1-piperidyl)propan-2-ol
CID 369971
1-(9-Anthracenylmethyl)-3-piperidinol
CID 2845863
1-(1-Pyrenylmethyl)-3-piperidinol
CID 2846028
3-(4-Benzhydrylpiperazin-1-yl)-1-(4-fluoronaphthalen-1-yl)propan-1-ol
CID 145971453
2-[Benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol
CID 59570700
4-[Benzyl(propan-2-yl)amino]-1-naphthalen-2-ylbutan-1-ol
CID 59570707
3-[(3,5-Difluorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol
CID 59570740
1-(1-Naphthyl)-3-(4-phenyl-1-piperidyl)propan-2-ol
CID 369969
alpha-[2-[Methyl(1-naphthalenylmethyl)amino]ethyl]-Benzenemethanol
CID 12434205
3-[(3,4-Difluorophenyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol
CID 24767805
3-(Benzyl(isopropyl)amino)-1-(naphthalen-2-yl)propan-1-ol
CID 59570713
3-(Dibenzylamino)-1-naphthalen-2-ylpropan-1-ol
CID 59570755

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol?
The IUPAC name of (2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol (CID 102011297) is (2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol.
What is the SMILES notation for (2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol?
The canonical SMILES for (2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol is O[C@@H]([C@H](c1cccc2ccccc12)N(Cc1ccccc1)Cc1ccccc1)C(F)(F)F.
What is the InChIKey of (2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol?
The InChIKey is RJPKWFGSULMASC-UIOOFZCWSA-N. The full InChI is InChI=1S/C27H24F3NO/c28-27(29,30)26(32)25(24-17-9-15-22-14-7-8-16-23(22)24)31(18-20-10-3-1-4-11-20)19-21-12-5-2-6-13-21/h1-17,25-26,32H,18-19H2/t25-,26-/m0/s1.
What are the key properties of (2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol?
(2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol has a molecular weight of 435.49 g/mol, XLogP of 6.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(dibenzylamino)-1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol is sourced from PubChem (CID 102011297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).