(3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine

C14H17F3N2O — CID 141253071

IUPAC(3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESC[C@@H](C[C@H]1C=C(N)NC1)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O/c1-9(6-10-7-13(18)19-8-10)20-12-4-2-11(3-5-12)14(15,16)17/h2-5,7,9-10,19H,6,8,18H2,1H3/t9-,10-/m0/s1
InChIKeyARAUQWNZLDHMPB-UWVGGRQHSA-N
MW286.30 g/mol
LogP2.88
Rot. Bonds4

About (3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine

(3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine (PubChem CID 141253071) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is (3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine.

Molecular Properties

Compound Name(3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine
PubChem CID141253071
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name(3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESC[C@@H](C[C@H]1C=C(N)NC1)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O/c1-9(6-10-7-13(18)19-8-10)20-12-4-2-11(3-5-12)14(15,16)17/h2-5,7,9-10,19H,6,8,18H2,1H3/t9-,10-/m0/s1
InChIKeyARAUQWNZLDHMPB-UWVGGRQHSA-N
XLogP2.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine?
The IUPAC name of (3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine (CID 141253071) is (3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine.
What is the SMILES notation for (3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine?
The canonical SMILES for (3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine is C[C@@H](C[C@H]1C=C(N)NC1)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine?
The InChIKey is ARAUQWNZLDHMPB-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-9(6-10-7-13(18)19-8-10)20-12-4-2-11(3-5-12)14(15,16)17/h2-5,7,9-10,19H,6,8,18H2,1H3/t9-,10-/m0/s1.
What are the key properties of (3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine?
(3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine has a molecular weight of 286.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine is sourced from PubChem (CID 141253071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).