(2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol

C20H23F3N2O — CID 67218554

IUPAC(2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CNC1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)16-8-4-7-15(12-16)19(9-10-19)25-13-18(26)17(24)11-14-5-2-1-3-6-14/h1-8,12,17-18,25-26H,9-11,13,24H2/t17-,18+/m0/s1
InChIKeyOTJNHHCKLUOSQB-ZWKOTPCHSA-N
MW364.41 g/mol
LogP3.21
Rot. Bonds7

About (2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol

(2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol (PubChem CID 67218554) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is (2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol
PubChem CID67218554
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name(2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CNC1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)16-8-4-7-15(12-16)19(9-10-19)25-13-18(26)17(24)11-14-5-2-1-3-6-14/h1-8,12,17-18,25-26H,9-11,13,24H2/t17-,18+/m0/s1
InChIKeyOTJNHHCKLUOSQB-ZWKOTPCHSA-N
XLogP3.21
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol with MolForge

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Related Compounds

[(2S,3S)-3-hydroxy-1-phenyl-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl] carbamate
CID 67218104
tert-butyl N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl]carbamate
CID 86644019
(2R)-3-amino-4-(3,5-difluorophenyl)-1-[[1-(3-ethylphenyl)cyclopropyl]amino]butan-2-ol
CID 143107577
3-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl]-5-methyl-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 155136889
2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 62720952
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[1-[3-(2,2-dimethylpropyl)phenyl]cyclohexyl]amino]butan-2-ol;N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[1-[3-(2,2-dimethylpropyl)phenyl]cyclohexyl]amino]-3-hydroxybutan-2-yl]-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid
CID 158024965
(2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol
CID 69358318
(2R,3S)-3-amino-1-(1-bicyclo[2.2.2]octanylamino)-4-phenylbutan-2-ol;dihydrochloride
CID 69357598
(2R,3S)-3-amino-1-[[1-(3-tert-butylphenyl)cyclopropyl]amino]-4-[4-[(6-methyl-2-pyridinyl)amino]-3-pentylphenyl]butan-2-ol
CID 68697793
3-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-[3-(trifluoromethyl)phenyl]oxolan-3-yl]amino]butan-2-yl]-5-methyl-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
CID 155136925
(2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride
CID 69361540
(2R,3S)-3-amino-1-[(3-tert-butylphenyl)methylamino]-4-phenylbutan-2-ol
CID 59569831

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol?
The IUPAC name of (2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol (CID 67218554) is (2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol is N[C@@H](Cc1ccccc1)[C@H](O)CNC1(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol?
The InChIKey is OTJNHHCKLUOSQB-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H23F3N2O/c21-20(22,23)16-8-4-7-15(12-16)19(9-10-19)25-13-18(26)17(24)11-14-5-2-1-3-6-14/h1-8,12,17-18,25-26H,9-11,13,24H2/t17-,18+/m0/s1.
What are the key properties of (2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol?
(2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol has a molecular weight of 364.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-4-phenyl-1-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-ol is sourced from PubChem (CID 67218554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).