(2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol

C31H29F3N2O — CID 166858090

IUPAC(2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol
SMILESO[C@H](CNCc1cccc(C(F)(F)F)c1)[C@H](Cc1ccccc1)NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C31H29F3N2O/c32-31(33,34)23-12-8-11-22(17-23)19-35-20-29(37)28(18-21-9-2-1-3-10-21)36-30-26-15-6-4-13-24(26)25-14-5-7-16-27(25)30/h1-17,28-30,35-37H,18-20H2/t28-,29+/m0/s1
InChIKeyRUKBDHXKIGHXDY-URLMMPGGSA-N
MW502.58 g/mol
LogP6.13
Rot. Bonds9

About (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol

(2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol (PubChem CID 166858090) has the molecular formula C31H29F3N2O and a molecular weight of 502.58 g/mol. Its IUPAC name is (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol
PubChem CID166858090
Molecular FormulaC31H29F3N2O
Molecular Weight502.58 g/mol
Exact Mass502.22
IUPAC Name(2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol
SMILESO[C@H](CNCc1cccc(C(F)(F)F)c1)[C@H](Cc1ccccc1)NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C31H29F3N2O/c32-31(33,34)23-12-8-11-22(17-23)19-35-20-29(37)28(18-21-9-2-1-3-10-21)36-30-26-15-6-4-13-24(26)25-14-5-7-16-27(25)30/h1-17,28-30,35-37H,18-20H2/t28-,29+/m0/s1
InChIKeyRUKBDHXKIGHXDY-URLMMPGGSA-N
XLogP6.13
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 56.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol with MolForge

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Related Compounds

(2R,3S)-1-(benzylamino)-3-(2,2-diphenylethylamino)-4-phenylbutan-2-ol
CID 164617454
(2S,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol
CID 164623763
(2R,3S)-1-(benzylamino)-3-(3,3-diphenylpropylamino)-4-phenylbutan-2-ol
CID 164610030
(2R,3S)-3-(3,3-diphenylpropylamino)-4-phenyl-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol
CID 164611490
2-[(2-Benzyl-1-phenyl-2,3-dihydroinden-1-yl)amino]-1-phenylpropane-1,3-diol
CID 44389657
US12492163, Name (14)
CID 166858284
US12492163, Name (21)
CID 168116049
1-[[(1R)-1-naphthalen-1-ylethyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 134843424
(1R,2S)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-1-fluoro-1-phenylpropan-2-ol
CID 101765240
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-(9H-fluoren-9-ylamino)-3-hydroxybutan-2-yl]acetamide
CID 9979638
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide
CID 10005291
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide
CID 10026783

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol?
The IUPAC name of (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol (CID 166858090) is (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol.
What is the SMILES notation for (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol?
The canonical SMILES for (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol is O[C@H](CNCc1cccc(C(F)(F)F)c1)[C@H](Cc1ccccc1)NC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol?
The InChIKey is RUKBDHXKIGHXDY-URLMMPGGSA-N. The full InChI is InChI=1S/C31H29F3N2O/c32-31(33,34)23-12-8-11-22(17-23)19-35-20-29(37)28(18-21-9-2-1-3-10-21)36-30-26-15-6-4-13-24(26)25-14-5-7-16-27(25)30/h1-17,28-30,35-37H,18-20H2/t28-,29+/m0/s1.
What are the key properties of (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol?
(2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol has a molecular weight of 502.58 g/mol, XLogP of 6.13, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(9H-fluoren-9-ylamino)-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-ol is sourced from PubChem (CID 166858090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).