(1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol

C19H21F3N2O — CID 152863103

IUPAC(1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
SMILESNC1(C(O)CNCc2cccc(C(F)(F)F)c2)CC1c1ccccc1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)15-8-4-5-13(9-15)11-24-12-17(25)18(23)10-16(18)14-6-2-1-3-7-14/h1-9,16-17,24-25H,10-12,23H2
InChIKeyTXXYESYIXYVAIB-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.04
Rot. Bonds6

About (1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol

(1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol (PubChem CID 152863103) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is (1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
PubChem CID152863103
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name(1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
SMILESNC1(C(O)CNCc2cccc(C(F)(F)F)c2)CC1c1ccccc1
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)15-8-4-5-13(9-15)11-24-12-17(25)18(23)10-16(18)14-6-2-1-3-7-14/h1-9,16-17,24-25H,10-12,23H2
InChIKeyTXXYESYIXYVAIB-UHFFFAOYSA-N
XLogP3.04
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 70832697
1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
CID 134033677
(2R,3S)-3-benzyl-5-methyl-1-[[3-(trifluoromethyl)phenyl]methylamino]hexan-2-ol
CID 123280578
(1S,2R)-1-amino-1-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 58802590
2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanenitrile
CID 43242659
2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 78910480
3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 28830273
4-chloro-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 66089921
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 104643670
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
1-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 106209964
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol?
The IUPAC name of (1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol (CID 152863103) is (1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol.
What is the SMILES notation for (1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol?
The canonical SMILES for (1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol is NC1(C(O)CNCc2cccc(C(F)(F)F)c2)CC1c1ccccc1.
What is the InChIKey of (1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol?
The InChIKey is TXXYESYIXYVAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c20-19(21,22)15-8-4-5-13(9-15)11-24-12-17(25)18(23)10-16(18)14-6-2-1-3-7-14/h1-9,16-17,24-25H,10-12,23H2.
What are the key properties of (1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol?
(1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol has a molecular weight of 350.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-amino-2-phenylcyclopropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol is sourced from PubChem (CID 152863103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).