(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine

C18H19F3N2 — CID 91039236

IUPAC(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESN[C@H](Cc1cccc(C(F)(F)F)c1)CN1Cc2ccccc2C1
InChIInChI=1S/C18H19F3N2/c19-18(20,21)16-7-3-4-13(8-16)9-17(22)12-23-10-14-5-1-2-6-15(14)11-23/h1-8,17H,9-12,22H2/t17-/m1/s1
InChIKeyPIQTUDKVTBIYTD-QGZVFWFLSA-N
MW320.36 g/mol
LogP3.59
Rot. Bonds4

About (2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine

(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 91039236) has the molecular formula C18H19F3N2 and a molecular weight of 320.36 g/mol. Its IUPAC name is (2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID91039236
Molecular FormulaC18H19F3N2
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESN[C@H](Cc1cccc(C(F)(F)F)c1)CN1Cc2ccccc2C1
InChIInChI=1S/C18H19F3N2/c19-18(20,21)16-7-3-4-13(8-16)9-17(22)12-23-10-14-5-1-2-6-15(14)11-23/h1-8,17H,9-12,22H2/t17-/m1/s1
InChIKeyPIQTUDKVTBIYTD-QGZVFWFLSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenyl isoindoline
CID 606734
Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amine
CID 44578367
1,2,3,5,6,10balpha-Hexahydro-6beta-(3-trifluoromethylphenyl)pyrrolo[2,1-a]isoquinoline
CID 13646491
(S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592195
(6R,10bS)-6-[3-(trifluoromethyl)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride
CID 70687164
2-(1-Methyl-2-phenylethyl)isoindoline
CID 6618797
N-(3,5-bis(trifluoromethyl)benzyl)-1-phenyl-8-aza-bicyclo[3.2.1]octan-2-amine
CID 9910432
(alphaS,2S)-alpha-[3-(Trifluoromethyl)phenyl]-1-benzhydrylazetidine-2alpha-methanamine
CID 10194236
(1S,2R,5S)-5-(isoindolin-2-yl)-2-(2,4,5-trifluorophenyl)cyclohexanamine
CID 11523077
1-(1-Phenyl-2-(2-(trifluoromethyl)phenyl)ethyl)piperazine
CID 44414707
Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-
CID 3046410
(1S,2S)-(-)-N,N'-Dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethylenediamine
CID 7018190

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of (2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 91039236) is (2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for (2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine is N[C@H](Cc1cccc(C(F)(F)F)c1)CN1Cc2ccccc2C1.
What is the InChIKey of (2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is PIQTUDKVTBIYTD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19F3N2/c19-18(20,21)16-7-3-4-13(8-16)9-17(22)12-23-10-14-5-1-2-6-15(14)11-23/h1-8,17H,9-12,22H2/t17-/m1/s1.
What are the key properties of (2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 320.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 91039236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).