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

C18H19F3N2 — CID 141216219

IUPAC(2S)-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-/m0/s1
InChIKeyPIQTUDKVTBIYTD-KRWDZBQOSA-N
MW320.36 g/mol
LogP3.59
Rot. Bonds4

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

(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 141216219) has the molecular formula C18H19F3N2 and a molecular weight of 320.36 g/mol. Its IUPAC name is (2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID141216219
Molecular FormulaC18H19F3N2
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name(2S)-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-/m0/s1
InChIKeyPIQTUDKVTBIYTD-KRWDZBQOSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of (2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 141216219) is (2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for (2S)-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 (2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is PIQTUDKVTBIYTD-KRWDZBQOSA-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-/m0/s1.
What are the key properties of (2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
(2S)-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 (2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 141216219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).